Index | Ligand Name | Structure | PDB code | ligand desolvation |
1 | i2o | p38 kinase crystal structure in complex with small molecule inhibitor | 3rin | 97.89 |
2 | yix | Triazolopyridine Inhibitors of p38 | 2yix | 97.35 |
3 | 9y8 | p38alpha in complex with pyrazolobenzothiazine inhibitor COXP4M12 | 5omg | 97.17 |
4 | 304 | P38 alpha map kinase complexed with BMS-640994 | 3bx5 | 97.1 |
5 | irg | Human p38 MAP kinase in complex with NP-F10 and RL87 | 4ehv | 96.77 |
6 | a17 | P38 complex with a phthalazine inhibitor | 3ds6 | 96.54 |
7 | irg | Human p38 MAP kinase in complex with NP-F3 and RL87 | 4eh4 | 96.19 |
8 | irg | Human p38 MAP kinase in complex with NP-F5 and RL87 | 4eh6 | 95.82 |
9 | 8oh | Crystal Structure of p38alpha in Complex with Lipid Pocket Ligand 9g | 5n64 | 95.79 |
10 | irg | Human p38 MAP kinase in complex with NP-F2 and RL87 | 4eh3 | 95.74 |
11 | tzy | Crystal structure of P38 with triazolopyridine | 1zzl | 95.7 |
12 | bw1 | Crystal Structure of p38alpha in Complex with Lipid Pocket Ligand 9j | 5n66 | 95.59 |
13 | lie | Mutated MAP kinase P38 (Mus Musculus) in complex with Inhbitor PG-951717 | 2gtn | 95.5 |
14 | l10 | p38 Kinase crystal structure in complex with small molecule inhibitor | 1w82 | 95.44 |
15 | 8ow | Crystal Structure of p38alpha in Complex with Lipid Pocket Ligand 9c | 5n63 | 95.36 |
16 | 2a8 | Human p38 MAP Kinase in Complex with 2-amino-phenylamino- dibenzosuberone | 3zya | 95.19 |
17 | p66 | Crystal Structure of p38a Mitogen-Activated Protein Kinase in Complex with a Pyrazolopyridazine Inhibitor | 3itz | 95.05 |
18 | lb5 | Crystal structure of p38 alpha in complex with compound 75 (MCP33) | 6sfi | 94.48 |
19 | irg | Human p38 MAP kinase in complex with RL87 | 4dli | 94.46 |
20 | 1pp | p38alpha bound to pyrazolourea | 2baj | 94.37 |
21 | gk5 | Crystal Structure of P38 Kinase in Complex with a biphenyl amide inhibitor | 3d7z | 94.35 |
22 | lid | Mutated Mouse P38 MAP Kinase Domain in complex with Inhibitor PG-892579 | 2gtm | 94.21 |
23 | lbe | MAPK14 with bound inhibitor SR-318 | 6sfo | 94.07 |
24 | 6sh | Crystal structure of p38 alpha MAPK14 in complex with VPC00628 | 5lar | 94.02 |
25 | p38 | Morpholino pyrrolotriazine P38 Alpha map kinase inhibitor compound 30 | 3bv2 | 93.95 |
26 | irg | Human p38 MAP kinase in complex with NP-F7 and RL87 | 4eh8 | 93.94 |
27 | wbt | Identification of novel p38 alpha MAP Kinase inhibitors using fragment-based lead generation. | 1wbt | 93.88 |
28 | bmu | Conformational plasticity of p38 MAP kinase DFG motif mutants in response to inhibitor binding | 3o8p | 93.63 |
29 | li2 | Identification of novel p38 alpha MAP Kinase inhibitors using fragment-based lead generation. | 1wbs | 93.53 |
30 | irg | Human p38 MAP kinase in complex with NP-F6 and RL87 | 4eh7 | 93.46 |
31 | irg | Human p38 MAP kinase in complex with NP-F4 and RL87 | 4eh5 | 93.43 |
32 | 1ra | Crystal structure of mitogen-activated protein kinase 14 (P38-H5) complex with ETHYL 6-((5-(CYCLOPROPYLCARBAMOYL)-2-METHYLPHENYL)CARBAMOYL)-1H-INDOLE-1-CARBOXYLATE | 4kiq | 93.26 |
33 | j8s | Structure-based Design, Synthesis, and Biological Evaluation of Imidazo[4,5-b]pyridine-2-one based p38 MAP Kinase Inhibitors by scaffold hopping: compound 1 | 6m95 | 93.18 |
34 | gk4 | Crystal structure of P38 in complex with biphenyl amide inhibitor | 2zb1 | 93.09 |
35 | nar | Human p38 MAP kinase in complex with NP-F2 and RL87 | 4eh3 | 92.93 |
36 | irg | Human p38 MAP kinase in complex with NP-F11 and RL87 | 4eh9 | 92.77 |
37 | bmu | Conformational plasticity of p38 MAP kinase DFG motif mutants in response to inhibitor binding | 3o8u | 92.72 |
38 | irg | Human p38 MAP kinase in complex with NP-F1 and RL87 | 4eh2 | 92.69 |
39 | lbb | Crystal structure of p38 alpha in complex with compound 77 (MCP41) | 6sfj | 92.57 |
40 | edd | Crystal structure of phosphorylated P38 alpha in complex with DP802 | 3nnx | 92.5 |
41 | l09 | fragment based p38 inhibitors | 1wbn | 92.12 |
42 | fko | P38 kinase crystal structure in complex with RO3668 | 3fko | 91.95 |
43 | l11 | p38 Kinase crystal structure in complex with small molecule inhibitor | 1w83 | 91.52 |
44 | edd | Crystal structure of P38 alpha in complex with DP802 | 3nnw | 91.51 |
45 | bmu | Conformational plasticity of p38 MAP kinase DFG mutants in response to inhibitor binding | 3obj | 91.49 |
46 | xi2 | P38 kinase crystal structure in complex with RO6226 | 3fmm | 91.4 |
47 | bax | P38 in complex with Sorafenib | 3heg | 91.33 |
48 | 1m8 | Crystal structure of mitogen-activated protein kinase 14 (P38-H5) complex with 5-(2-CHLOROPHENYL)-N-(5-(CYCLOPROPYLCARBAMOYL)-2-METHYLPHENYL)-2-THIOPHENECARBOXAMIDE | 4kin | 91.33 |
49 | dg7 | Human p38 MAP Kinase in Complex with RL182 | 3pg3 | 91.16 |
50 | yiw | triazolopyridine inhibitors of p38 kinase | 2yiw | 91.16 |
51 | bmu | p38 MAP Kinase in Complex with Inhibitor 1 | 1kv1 | 91.08 |
52 | edb | Crystal structure of P38 alpha in complex with DP1376 | 3nnu | 90.91 |
53 | sb4 | Fragment KCL615 in complex with MAP kinase p38-alpha | 6spl | 90.91 |
54 | 9o5 | Covalent Inhibitor 4b bound to the Lipid Pocket of p38alpha Mutant S252C | 5o8u | 90.87 |
55 | 1r9 | Crystal structure of mitogen-activated protein kinase 14 (P38-H5) complex with 2-(2-CHLOROPHENYL)-N-(5-(CYCLOPROPYLCARBAMOYL)-2-METHYLPHENYL)-1,3-THIAZOLE-5-CARBOXAMIDE | 4kip | 90.84 |
56 | bmu | Conformational plasticity of p38 MAP kinase DFG-motif mutants in response to inhibitor binding | 3o8t | 90.82 |
57 | b96 | Human p38 MAP Kinase in Complex with BIRB 796 | 1kv2 | 90.78 |
58 | nk0 | P38 alpha kinase complexed with a pyrazolo-triazine based inhibitor | 3s4q | 90.69 |
59 | bax | Human P38 MAP kinase in complex with Sorafenib | 3gcs | 90.51 |
60 | fl4 | P38 kinase crystal structure in complex with RO5634 | 3fl4 | 90.49 |
61 | hiz | Structure of Inactive Human p38 MAP Kinase in Complex with a Thiazole-Urea | 3iw8 | 90.43 |
62 | z83 | Human p38 MAP Kinase in Complex with RL166 | 3lff | 90.35 |
63 | bmu | Conformational plasticity of p38 MAP kinase DFG motif mutants in response to inhibitor binding | 3oc1 | 90.34 |
64 | sb4 | Fragments KCL_615 and KCL_802 in complex with MAP kinase p38-alpha | 6sov | 90.05 |
65 | df3 | Human p38 MAP Kinase in Complex with an Indole Derivative | 3iw5 | 90.03 |
66 | sb4 | Fragment KCL802 in complex with MAP kinase p38-alpha | 6sp9 | 89.99 |
67 | 09j | Crystal Structure of p38a Mitogen-Activated Protein Kinase in Complex with a Triazolopyridazinone inhibitor | 3u8w | 89.96 |
68 | ocg | P38 Alpha kinase complexed with a 5-amino-pyrazole based inhibitor | 3ocg | 89.7 |
69 | z86 | Human p38 MAP Kinase in Complex with RL99 | 3lfc | 89.7 |
70 | r39 | Human p38 MAP Kinase in Complex with RL39 | 3hv6 | 89.67 |
71 | 38p | P38 Alpha Map Kinase complexed with pyrrolotriazine inhibitor 7K | 3mvl | 89.54 |
72 | 358 | The structure of p38 alpha in complex with a dihydroquinolinone | 1ove | 89.47 |
73 | sb4 | Structural basis of autoactivation of p38 alpha induced by TAB1 (Tetragonal crystal form) | 4lop | 89.37 |
74 | aqy | Structure-based Design, Synthesis, and Biological Evaluation of Imidazo[1,2-b]pyridazine-based p38 MAP Kinase Inhibitors | 5wjj | 89.36 |
75 | lb8 | Crystal structure of p38 alpha in complex with compound 81 (MCP42) | 6sfk | 89.18 |
76 | cq0 | p38 kinase crystal structure in complex with small molecule inhibitor | 3s3i | 89.15 |
77 | z84 | Human p38 MAP Kinase in Complex with RL116 | 3lfe | 89.07 |
78 | f4c | P38alpha bound to novel DFG-out compound PF-00416121 | 3k3j | 89.05 |
79 | b96 | Crystal Structure of p38alpha in Complex with Lipid Pocket Ligand 9j | 5n66 | 89.04 |
80 | p5k | P38 inhibitor-bound | 3p5k | 88.99 |
81 | fkl | P38 kinase crystal structure in complex with RO9552 | 3fkl | 88.78 |
82 | n4d | P38 alpha kinase complexed with a pyrazolo-pyrimidine based inhibitor | 3l8x | 88.73 |
83 | g2g | Crystal structure of p38 complex with 1-(5-tert-Butyl-2-p-tolyl-2H-pyrazol-3-yl)-3-[4-(6-morpholin-4-ylmethyl-pyridin-3-yl)naphthalen-1-yl]urea | 2puu | 88.63 |
84 | sb4 | Structural basis of autoactivation of p38 alpha induced by TAB1 (Monoclinic crystal form) | 4loo | 88.56 |
85 | p78 | P38 inhibitor-bound | 3p78 | 88.43 |
86 | pgj | Mutated Mus Musculus P38 Kinase (mP38) | 1yw2 | 88.39 |
87 | sb0 | Human P38 alpha Mitogen-Activated Kinase In Complex With SB239063 | 4fa2 | 88.38 |
88 | ipk | Human p38 MAP Kinase in Complex with an Imidazo-pyridine | 3iw7 | 88.37 |
89 | fmk | P38 kinase crystal structure in complex with 6-(2,4-Difluoro-phenoxy)-8-methyl-2-((S)-1-methyl-2-tetrazol-2-yl-ethylamino)-8H-pyrido[2,3-d]pyrimidin-7-one | 3fmk | 88.35 |
90 | sb4 | Structural basis of autoactivation of p38 alpha induced by TAB1 (Tetragonal crystal form with bound sulphate) | 4loq | 88.34 |
91 | p39 | Morpholino pyrrolotriazine P38 Alpha Map Kinase inhibitor compound 2 | 3bv3 | 88.33 |
92 | 6np | Crystal Structure of p38 Alpha in Complex with a Selective Pyridazine Inhibitor | 1yqj | 88.28 |
93 | p7b | p38 inhibitor-bound | 3p7b | 88.19 |
94 | fi4 | P38 kinase crystal structure in complex with RO4499 | 3fi4 | 88.09 |
95 | g11 | Crystal structure of p38 in complex with a biphenylamide inhibitor | 3iph | 87.8 |
96 | 8en | P38 ALPHA MUTANT C162S IN COMPLEX WITH CMPD2 [N-(4-Methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)-3-(trifluoromethyl)benzamide] | 5mz3 | 87.69 |
97 | 279 | Phenylalanine pyrrolotriazine p38 alpha map kinase inhibitor compound 11B | 2rg5 | 87.58 |
98 | 048 | Human p38 MAP Kinase in Complex with a Benzamide Substituted Benzosuberone | 3uvp | 87.28 |
99 | 39p | P38 Alpha Map Kinase complexed with pyrrolotriazine inhibitor 7V | 3mvm | 87.18 |
100 | p79 | P38 inhibitor-bound | 3p79 | 87.06 |
101 | i39 | p38 kinase Crystal structure in complex with small molecule inhibitor | 3hrb | 86.76 |
102 | sb4 | Crystal structure of a P38alpha T185G mutant in complex with TAB1 peptide. | 5o90 | 86.63 |
103 | fmj | P38 kinase crystal structure in complex with 4-(5-Methyl-3-phenyl-isoxazol-4-yl)-pyrimidin-2-ylamine | 3fmj | 86.17 |
104 | t75 | Structure-based Design, Synthesis, and Biological Evaluation of Imidazo[1,2-b]pyridazine-based p38 MAP Kinase Inhibitors | 6anl | 86.07 |
105 | j9g | Structure-based Design, Synthesis, and Biological Evaluation of Imidazo[4,5-b]pyridine-2-one based p38 MAP Kinase Inhibitors by scaffold hopping - compound 10 | 6m9l | 86.03 |
106 | 3nw | P38 Alpha kinase complexed with a 2-aminothiazol-5-yl-pyrimidine based inhibitor | 3nww | 85.75 |
107 | pp0 | Human p38 MAP Kinase in Complex with a Benzylpiperazin-Pyrrol | 3iw6 | 85.47 |
108 | lib | Mutant Mus Musculus P38 Kinase Domain in Complex with Inhibitor PG-874743 | 2ghl | 85.39 |
109 | sti | P38 in complex with Imatinib | 3hec | 85.03 |
110 | pqb | p38alpha bound to Ro3201195 | 2baq | 84.89 |
111 | 3fn | P38 kinase crystal structure in complex with R1487 | 3fln | 84.85 |
112 | 9o2 | Covalent Inhibitor 4a bound to the Lipid Pocket of p38alpha Mutant S251C | 5o8v | 84.82 |
113 | gk6 | Crystal structure of P38 kinase in complex with a biphenyl amide inhibitor | 3d83 | 84.78 |
114 | 8ok | Crystal Structure of p38alpha in Complex with Lipid Pocket Ligand 9m | 5n68 | 84.71 |
115 | kq7 | Structure of human p38alpha with N-[4-methyl-3-(6-{[2-(1-methylpyrrolidin-2-yl)ethyl]amino}pyridine-3-amido)phenyl]-2-(morpholin-4-yl)pyridine-4-carboxamide | 3kq7 | 84.47 |
116 | lic | Mutated MAP kinase P38 (Mus Musculus) in complex with Inhbitor PG-895449 | 2ghm | 84.42 |
117 | p7c | p38 inhibitor-bound | 3p7c | 84.31 |
118 | p37 | Crystal Structure of p38a Mitogen-Activated Protein Kinase in Complex with a Pyrazolopyridinone Inhibitor | 3gfe | 84.24 |
119 | aa0 | P38ALPHA MAP KINASE BOUND TO CMPD 2 | 4aa0 | 84.22 |
120 | 3ff | Human p38 MAP Kinase in Complex with Skepinone-L | 3que | 83.89 |
121 | pqb | P38 Kinase Crystal Structure in complex with RO3201195 | 2gfs | 83.85 |
122 | 19b | Crystal Structure of P38 Kinase in Complex with A Biaryl Amide Inhibitor | 3e93 | 83.77 |
123 | l9g | Crystal Structure of Human p38alpha Complexed With a Triazolopyrimidine compound | 3kf7 | 83.75 |
124 | p0f | The structure of p38 alpha in complex with a triazol inhibitor | 5xyy | 83.5 |
125 | 3gf | Crystal structure of p38 alpha MAP kinase in complex with a novel isoform selective drug candidate | 4r3c | 83.44 |
126 | ftz | The structure of p38 alpha in complex with a triazol inhibitor | 5xyx | 83.23 |
127 | flw | P38 kinase crystal structure in complex with pamapimod | 3flw | 83.1 |
128 | 1gk | Crystal structure of P38 kinase in complex with a pyrrole-2-carboxamide inhibitor | 3mpt | 83.02 |
129 | b11 | Two Classes of p38alpha MAP Kinase Inhibitors Having a Common Diphenylether Core but Exhibiting Divergent Binding Modes | 1zz2 | 82.82 |
130 | li9 | Crystal Structure Analysis of inactive P38 kinase domain in complex with a Monocyclic Pyrazolone Inhibitor | 1ywr | 82.77 |
131 | dqo | Crystal structure of p38 MAP kinase in complex with a dihydroquinazolinone inhibitor | 1m7q | 82.55 |
132 | fly | P38 kinase crystal structure in complex with 6-(2,4-difluoro-phenoxy)-2-isopropylamino-8-methyl-8h-pyrido[2,3-d]pyrimidin-7-one | 3fly | 82.2 |
133 | 084 | The structure of p38 alpha in complex with a pyridinylimidazole inhibitor | 1ouk | 81.99 |
134 | t75 | X-ray structure of p38alpha bound to TAK-715 | 3zsg | 81.86 |
135 | fph | P38 MITOGEN-ACTIVATED KINASE IN COMPLEX WITH 4-AZAINDOLE INHIBITOR | 1oz1 | 81.73 |
136 | 0om | Human p38 MAP kinase in complex with NP-F4 and RL87 | 4eh5 | 81.59 |
137 | f46 | Human p38 MAP kinase in complex with a Dibenzoxepinone | 4l8m | 81.45 |
138 | qc0 | P38ALPHA MAP KINASE BOUND TO CMPD 22 | 4aa4 | 81.36 |
139 | 533 | P38 kinase crystal structure in complex with 6-(2,4-Difluoro-phenoxy)-8-methyl-2-((R)-1-methyl-2-tetrazol-2-yl-ethylamino)-8H-pyrido[2,3-d]pyrimidin-7-one | 3fmh | 81.33 |
140 | bi5 | Human P38 MAP Kinase in Complex with Inhibitor 1a | 1zyj | 81.29 |
141 | aav | P38ALPHA MAP KINASE BOUND TO CMPD 29 | 4aac | 81.18 |
142 | 8on | Crystal Structure of p38alpha in Complex with Lipid Pocket Ligand 9l | 5n67 | 81.15 |
143 | 094 | The structure of p38 alpha in complex with a dihydropyrido-pyrimidine inhibitor | 1ouy | 80.96 |
144 | sb5 | THE COMPLEX STRUCTURE OF THE MAP KINASE P38/SB218655 | 1bmk | 80.95 |
145 | bff | Human p38 MAP Kinase in Complex with CP-547632 | 3l8s | 80.78 |
146 | 530 | P38 kinase crystal structure in complex with RO2530 | 3fmn | 80.68 |
147 | sb4 | THE COMPLEX STRUCTURE OF THE MAP KINASE P38/SB220025 | 1bl7 | 80.61 |
148 | ro6 | P38 kinase crystal structure in complex with RO6257 | 3fsk | 80.55 |
149 | i47 | Crystal Structure of Human p38alpha complexed with SD-0006 | 3hl7 | 80.45 |
150 | p40 | P38 Complexed with a quinazoline inhibitor | 3dt1 | 80.43 |
151 | mih | p38 kinase Crystal structure in complex with small molecule inhibitor | 3mw1 | 80.13 |
152 | flz | P38 kinase crystal structure in complex WITH 8-Methyl-6-phenoxy-2-(tetrahydro-pyran-4-ylamino)-8H-pyrido[2,3-d]pyrimidin-7-one | 3flz | 80.03 |
153 | fml | P38 kinase crystal structure in complex with RO6224 | 3fml | 79.63 |
154 | sb6 | THE COMPLEX STRUCTURE OF THE MAP KINASE P38/SB216995 | 1bl6 | 79.59 |
155 | sb2 | Dual binding mode of pyridinylimidazole to MAP kinase p38 | 2ewa | 79.38 |
156 | sb2 | Human P38 MAP Kinase in Complex with SB203580 | 3gcp | 79.32 |
157 | nqb | P38ALPHA MAP KINASE BOUND TO CMPD 33 | 4aa5 | 79.2 |
158 | aqz | p38alpha MAP kinase bound to MPAQ | 2bak | 79.06 |
159 | aqz | P38ALPHA MAP KINASE BOUND TO CMPD 8 | 4a9y | 79.06 |
160 | fs8 | Human p38 MAP Kinase in Complex with a Dibenzosuberone Derivative | 3uvq | 78.86 |
161 | hb9 | Dibenzosuberone inhibitor 8e in complex with p38 MAPK | 5mty | 78.73 |
162 | fls | P38 kinase crystal structure in complex with 6-(2,4-Difluoro-phenoxy)-2-((R)-2-methanesulfonyl-1-methyl-ethylamino)-8-methyl-8H-pyrido[2,3-d]pyrimidin-7-one | 3fls | 78.72 |
163 | 469 | Human p38 MAP Kinase in Complex with Scios-469 | 3hub | 78.71 |
164 | msq | THE STRUCTURE OF P38 MITOGEN-ACTIVATED PROTEIN KINASE IN COMPLEX WITH 4-[3-METHYLSULFANYLANILINO]-6,7-DIMETHOXYQUINAZOLINE | 1di9 | 77.47 |
165 | b45 | The structure of p38alpha in complex with a dihydroquinazolinone | 3gc7 | 77.25 |
166 | sb2 | Structural basis for kinase selectivity of three clinical p38alpha inhibitors | 3zs5 | 77.25 |
167 | gxh | Crystal structure of p38alpha in complex with a reduced photoswitchable 2-Azothiazol-based Inhibitor (compound 31) | 6hwt | 77.16 |
168 | pqa | p38alpha MAP kinase bound to pyrazoloamine | 2bal | 76.71 |
169 | 0ok | Human p38 MAP kinase in complex with NP-F1 and RL87 | 4eh2 | 76.64 |
170 | sb2 | Conformational plasticity of p38 MAP kinase DFG mutants in response to inhibitor binding | 3obg | 75.22 |
171 | 469 | X-ray structure of p38alpha bound to SCIO-469 | 3zsh | 75.21 |
172 | lo5 | Fragment N13569a in complex with MAP kinase p38-alpha | 6so1 | 73.68 |
173 | 891 | P38 kinase crystal structure in complex with 6-(2,4-difluoro-phenoxy)-2-((s)-2-methanesulfonyl-1-methyl-ethylamino)-8-methyl-8h-pyrido[2,3-d]pyrimidin | 3flq | 73.61 |
174 | sb2 | THE COMPLEX STRUCTURE OF THE MAP KINASE P38/SB203580 | 1a9u | 73.54 |
175 | lgf | P38 Alpha Map Kinase inhibitor based on heterobicyclic scaffolds | 2qd9 | 73.39 |
176 | g97 | Human p38 MAP Kinase in Complex with RL40 | 3huc | 73.12 |
177 | sb2 | Conformational plasticity of p38 MAP kinase DFG motif mutants in response to inhibitor binding | 3mpa | 71.48 |
178 | 79q | Human p38 MAP Kinase in Complex with Dibenzosuberone Compound 1 | 5tco | 71.18 |
179 | fji | Dibenzooxepinone inhibitor 12b in complex with p38 MAPK | 5mtx | 69.52 |
180 | 1vi | Human p38alpha MAPK in complex with imidazolyl pyridine inhibitor 11b | 5ml5 | 69.47 |
181 | fss | P38 kinase crystal structure in complex with 3-(2,6-Dichloro-phenyl)-7-[4-(2-diethylamino-ethoxy)-phenylamino]-1-methyl-3,4-dihydro-1H-pyrimido[4,5-d]pyrimidin-2-one | 3fsf | 61.07 |
182 | lo8 | Fragment RZ132 in complex with MAP kinase p38-alpha | 6so4 | 59.47 |
183 | 1n1 | Human p38 MAP Kinase in Complex with Dasatinib | 3lfa | 58.03 |