Index | Ligand Name | Structure | PDB code | ligand desolvation |
1 | djh | DDR1, 2-[1'-(1H-indazole-5-carbonyl)-4-methyl-2-oxospiro[indole-3,4'-piperidine]-1-yl]-N-(2,2,2-trifluoroethyl)acetamide, 1.990A, P6522, Rfree=27.7% | 6fio | 94.89 |
2 | d6z | DDR1, 2-[4-bromo-2-oxo-1'-(1H-pyrazolo[4,3-b]pyridine-5-carbonyl)spiro[indole-3,4'-piperidine]-1-yl]-N-(2,2,2-trifluoroethyl)acetamide, 1.291A, P212121, Rfree=17.4% | 6fex | 94.81 |
3 | 4ve | Fragment-based discovery of potent and selective DDR1/2 inhibitors | 5bvo | 94.71 |
4 | 4vc | Fragment-based discovery of potent and selective DDR1/2 inhibitors | 5bvk | 93.69 |
5 | djw | DDR1, 1-(1H-indazole-5-carbonyl)-5'-methoxy-1'-[2-oxo-2-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]ethyl]spiro[piperidine-4,3'-pyrrolo[3,2-b]pyridine]-2'-one, 1.790A, P212121, Rfree=23.8% | 6fiq | 93.55 |
6 | d6w | DDR1, 2-[8-(1H-indazole-5-carbonyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-methylacetamide, 1.730A, P212121, Rfree=24.5% | 6fil | 93.31 |
7 | djq | DDR1, 3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-8-(1H-indazole-5-carbonyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one, 1.670A, P1211, Rfree=22.8% | 6fin | 93.03 |
8 | d6w | DDR1, 2-[8-(1H-indazole-5-carbonyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-methylacetamide, 1.440A, P1211, Rfree=24.1% | 6few | 92.13 |
9 | 4vd | Fragment-based discovery of potent and selective DDR1/2 inhibitors | 5bvn | 92.07 |
10 | di1 | Crystal structure of the human DDR1 kinase domain in complex with DDR1-IN-1 | 4ckr | 88.77 |
11 | sti | Crystal structure of the human DDR1 kinase domain in complex with imatinib | 4bkj | 88.7 |
12 | gkb | Structure of the kinase domain of human DDR1 in complex with a 2-Amino-2,3-Dihydro-1H-Indene-5-Carboxamide-based inhibitor | 6hp9 | 85.43 |
13 | few | Structure of the kinase domain of human DDR1 in complex with a potent and selective inhibitor of DDR1 and DDR2 | 6gwr | 83.1 |
14 | 5x1 | Structure of DDR1 receptor tyrosine kinase in complex with D2164 inhibitor at 2.65 Angstroms resolution. | 5fdx | 82.85 |
15 | 5wr | Structure of DDR1 receptor tyrosine kinase in complex with D2099 inhibitor at 2.25 Angstroms resolution. | 5fdp | 82.75 |
16 | vx6 | DDR1 bound to VX-680 | 6brj | 74.87 |
17 | 1n1 | Fragment-based discovery of potent and selective DDR1/2 inhibitors | 5bvw | 74.04 |
18 | 1n1 | DDR1 bound to Dasatinib | 6bsd | 70.55 |