The Ligandable Human Proteome

Prothrombin

Index	Ligand Name	Structure	PDB code	ligand desolvation
1	121	A NOVEL SERINE PROTEASE INHIBITION MOTIF INVOLVING A MULTI-CENTERED SHORT HYDROGEN BONDING NETWORK AT THE ACTIVE SITE	1ghy	93.33
2	s29	Human Thrombin in complex with MI329	3rly	91.29
3	apa	CRYSTAL STRUCTURE OF HUMAN ALPHA-THROMBIN COMPLEXED WITH HIRUGEN AND P-AMIDINOPHENYLPYRUVATE AT 1.6 ANGSTROMS RESOLUTION	1aht	89.4
4	166	Novel Covalent Active Site Thrombin Inhibitors	1qj1	89.18
5	71u	Thrombin in complex with (S)-1-((R)-2-amino-3-cyclohexylpropanoyl)-N-(2-(aminomethyl)-5-chlorobenzyl) pyrrolidine-2-carboxamide	5lpd	88.43
6	c2d	Design and Discovery of Novel, Potent Thrombin Inhibitors with a Solubilizing Cationic P1-P2-Linker	2bxt	88.12
7	10p	Thrombin Inhibition by Pyridin Derivatives	3qto	87.77
8	06p	Thrombin Inhibition by Pyridin Derivatives	3qtv	87.76
9	goz	Thrombin in Complex with a D-Phe-Pro-diaminopyridine derivative	6hsx	87.68
10	32u	Thrombin Mutant A190S in complex with (S)-1-(D-phenylalanyl)-N-(4-carbamimidoylbenzyl)pyrrolidine-2-carboxamide	5mm6	87.53
11	p05	Human Thrombin In Complex With UBTHR105	3sv2	87.27
12	b03	Human Thrombin In Complex With UBTHR103	3si3	87.17
13	6th	Thrombin in complex with (S)-1-((R)-2-amino-3-cyclohexylpropanoyl)-N-(5-chloro-2-(hydroxymethyl)benzy l)pyrrolidine-2-carboxamide	5lce	86.84
14	b04	Human Thrombin In Complex With UBTHR104	3si4	86.81
15	32u	Exploring Thrombin S1 pocket	2zda	86.32
16	c1d	Design and Discovery of Novel, Potent Thrombin Inhibitors with a Solubilizing Cationic P1-P2-Linker	2bxu	86.26
17	6ov	Thrombin in complex with (S)-1-((R)-2-amino-3-cyclohexylpropanoyl)-N-(4-carbamimidoylbenzyl)pyrrolidine-2-carboxamide	5jzy	86.01
18	shy	Complex of thrombin with designed inhibitor 7165	1vzq	85.96
19	26u	Thrombin Inhibition	2ziq	85.87
20	f25	Complex of Recombinant Human Thrombin with a Designed Inhibitor	2cn0	85.86
21	m31	Human Thrombin in complex with MI331	3rml	85.83
22	gr1	Novel Covalent Active Site Thrombin Inhibitors	1qj7	85.82
23	s28	Human Thrombin in complex with MI328	3rlw	85.8
24	896	Thrombin-hirugen-gw473178 ternary complex at 1.32A resolution	2uuj	85.75
25	02p	Thrombin Inhibition by Pyridin Derivatives	3qx5	85.75
26	uib	Thrombin Inhibitor Complex	1ypj	85.67
27	fsn	COMPLEX OF RECOMBINANT HUMAN THROMBIN WITH A DESIGNED FLUORINATED INHIBITOR	1oyt	85.64
28	99p	Thrombin Inhibition by Pyridin Derivatives	3p17	85.58
29	167	Novel Covalent Active Site Thrombin Inhibitors	1qj6	85.39
30	n6l	Thrombin in complex with 1-(2R)-2-amino-3-phenyl-propanoyl-N-(2, 5dichlorophenyl)methylpyrrolidine-2-carboxamide	4udw	85.37
31	22u	Thrombin Mutant A190S in complex with (S)-1-(D-phenylalanyl)-N-(3-chlorobenzyl)pyrrolidine-2-carboxamide	5mls	85.35
32	45u	Exploring thrombin S3 pocket	2zfq	85.3
33	29u	Thrombin Inhibition	2zgx	85.25
34	mvf	Thrombin in complex with inhibitor	4bao	85.08
35	m6s	Thrombin in complex with inhibitor	4ban	85.05
36	m67	Thrombin in complex with inhibitor	4bak	85.02
37	21u	Thrombin Inhibition	2zgb	84.97
38	mm9	Thrombin in complex with inhibitor	4bam	84.9
39	uip	Thrombin Inhibitor Complex	1ype	84.87
40	esh	Complex of recombinant human thrombin with an inhibitor	2cf8	84.78
41	10u	Human thrombin-in complex with UB-THR10	3biu	84.73
42	m4z	Thrombin in complex with inhibitor	4baq	84.66
43	31u	Thrombin Inhibition	2znk	84.62
44	00n	THROMBIN COMPLEXED WITH A BETA-MIMETIC THIAZOLE-CONTAINING INHIBITOR	1a61	84.59
45	16u	Understanding Thrombin Inhibition	3dt0	84.51
46	22u	Thrombin in complex with Inhibitor	2zc9	84.45
47	tif	Human Thrombin In Complex With MI353	3uwj	84.27
48	348	Complex of recombinant human thrombin with an inhibitor	2cf9	84.23
49	l17	thrombin and P2 pyridine N-oxide inhibitor complex structure	1z71	83.97
50	64u	Understanding Thrombin Inhibition	3dux	83.88
51	p97	Human Thrombin In Complex With UBTHR97	3sha	83.83
52	51u	Exploring Thrombin S1 Pocket	2zf0	83.8
53	50u	Exploring thrombin S3 pocket	2zg0	83.78
54	27u	Thrombin Inhibition	2zhq	83.76
55	24u	Thrombin Inhibition	2zi2	83.75
56	bpp	CRYSTAL STRUCTURE OF HUMAN ALPHA THROMBIN IN COMPLEX WITH 5-AMIDINOINDOLE-4-BENZYLPIPERIDINE INHIBITOR	1d4p	83.66
57	uir	Thrombin Inhibitor Complex	1ypg	83.51
58	c02	Thrombin inhibitor complex	1ktt	83.46
59	dkk	Cyanofluorophenylacetamides as Orally Efficacious Thrombin Inhibitors	3c27	83.34
60	45s	Thrombin in complex with (S)-(4-chloro-2-((1-(5-methyl-1H-pyrrole-2-carbonyl)pyrrolidine-2-carboxamido)methyl)phenyl)methanaminium	4yes	83.16
61	0bm	Human alpha-thrombin complexed with N-(methylsulfonyl)-D-phenylalanyl-N-((1-carbamimidoyl-4-piperidinyl)methyl)-l-prolinamide (BMS-189664)	3tu7	83.15
62	cr9	Dissecting and Designing Inhibitor Selectivity Determinants at the S1 site Using an Artificial Ala190 Protease (Ala190 uPA)	1o5g	83.14
63	mel	Thrombin in complex with inhibitor	4bah	83.12
64	37u	Exploring Thrombin S1 pocket	2zdv	83.03
65	b01	Human Thrombin In Complex With UBTHR101	3shc	82.99
66	miu	Alpha-thrombin complex with sulfated hirudin (residues 54-65) and L- Arginine template inhibitor CS107	1w7g	82.97
67	c5m	thrombin inhibitors	2c8x	82.85
68	13u	Exploring thrombin S3 pocket	2zhe	82.77
69	s00	Human Thrombin in complex with MI003	3rm2	82.72
70	170	crystal structue of Thrombin in complex with a potent P1 heterocycle-Aryl based inhibitor	1sl3	82.43
71	19u	Thrombin Inibition	2zfp	82.43
72	mel	HUMAN THROMBIN-INHIBITOR COMPLEX	1k22	82.29
73	cdb	thrombin-hirugen_l-378,650	1mu8	82.28
74	c7m	thrombin inhibitors	2c8w	82.11
75	i50	2-(2-Chloro-6-Fluorophenyl)Acetamides as Potent Thrombin Inhibitors	2r2m	81.95
76	98p	Thrombin Inhibition by Pyridin Derivatives	3qwc	81.93
77	12u	Exploring thrombin S3 pocket	2zhw	81.87
78	bai	RECRUITING ZINC TO MEDIATE POTENT, SPECIFIC INHIBITION OF SERINE PROTEASES	1c1u	81.66
79	49u	Exploring thrombin S3 pocket	2zhf	81.63
80	177	Crystal structure of thrombin in complex with compound 14b	1ta6	81.38
81	cdd	Thrombin-Hirugen-L405,426	1mue	81.32
82	23u	Thrombin Mutant A190S in complex with (S) -1 - ((R) -2-amino-3,3-diphenylpropanoyl) -N- (3-chlorobenzyl) pyrrolidine-2-carboxamide	5mjt	81.28
83	11u	Human thrombin-in complex with UB-THR11	3biv	81.27
84	bli	CRYSTAL STRUCTURE OF THROMBIN IN COMPLEX WITH A NOVEL BICYCLIC LACTAM INHIBITOR	1jwt	81.25
85	nli	Discovery and Clinical Evaluation of RWJ-671818, a Thrombin Inhibitor with an Oxyguanidine P1 Motif	3ldx	81.22
86	ppx	CRYSTAL STRUCTURE OF THROMBIN COMPLEXED WITH AN GUANIDINE-MIMETIC INHIBITOR	1qbv	81.05
87	701	Human Thrombin Hirugen Inhibitor complex	2jh0	80.95
88	3sp	Orally active thrombin inhibitors	2fes	80.89
89	14a	Crystal Structure Analysis of a novel Oxyguanidine bound to Thrombin	1t4v	80.81
90	6v2	Thrombin in complex with (2R)-2-(benzylsulfonylamino)-N-(2-((4- carbamimidoylphenyl)methylamino)-2-oxo-ethyl)-N-methyl-3-phenyl- propanamide	4uff	80.59
91	00l	HUMAN THROMBIN COMPLEXED WITH NOVEL SYNTHETIC PEPTIDE MIMETIC INHIBITOR AND HIRUGEN	1a5g	80.53
92	d6j	Thrombin in complex with (2R)-2-(benzylsulfonylamino)-N-((1S)-2-((4- carbamimidoylphenyl)methylamino)-1-methyl-2-oxo-ethyl)-N-methyl-3- phenyl-propanamide ethane	4ufg	80.5
93	m34	Human Thrombin In Complex With MI340	3t5f	80.48
94	t76	thrombin in complex with selective macrocyclic inhibitor	1nt1	80.41
95	i26	Thrombin with 3-cycle with F	2v3o	80.41
96	0iv	THROMBIN INHIBITORS WITH RIGID TRIPEPTIDYL ALDEHYDES	1bb0	80.34
97	46u	Exploring thrombin S3 pocket	2zfr	80.27
98	34p	orally active thrombin inhibitors	2feq	80.27
99	3zd	Thrombin in complex with (2R)-2-(benzylsulfonylamino)-N-(2-((4- carbamimidoylphenyl)methylamino)-2-oxo-butyl)-3-phenyl-propanamide	4ufe	80.13
100	162	D-Phe-Pro-Arg-Type Thrombin Inhibitor	1nzq	80.11
101	min	ALPHA-THROMBIN COMPLEXED WITH HIRUGEN	1tom	80.11
102	c4m	thrombin inhibitors	2c93	80.11
103	23u	Bisphenylic Thrombin Inhibitors	3dhk	80.1
104	894	Human Thrombin Hirugen Inhibitor complex	2jh6	80.06
105	l86	thrombin in complex with selective macrocyclic inhibitor at 1.8A	1nm6	79.76
106	382	thrombin in complex with an oxazolopyridine inhibitor 21	1zgi	79.76
107	na9	Orally Active Thrombin Inhibitors in Complex with Thrombin Inh12	2a2x	79.75
108	00r	STRUCTURE OF THROMBIN COMPLEXED WITH SELECTIVE NON-ELECTROPHILIC INHIBITORS HAVING CYCLOHEXYL MOIETIES AT P1	1d6w	79.68
109	mit	CRYSTALLOGRAPHIC ANALYSIS AT 3.0-ANGSTROMS RESOLUTION OF THE BINDING TO HUMAN THROMBIN OF FOUR ACTIVE SITE-DIRECTED INHIBITORS	1dwc	79.67
110	ign	HUMAN THROMBIN-INHIBITOR COMPLEX	1k21	79.51
111	mid	CRYSTALLOGRAPHIC ANALYSIS AT 3.0-ANGSTROMS RESOLUTION OF THE BINDING TO HUMAN THROMBIN OF FOUR ACTIVE SITE-DIRECTED INHIBITORS	1dwd	79.39
112	cdo	Ternary complex of an orally active thrombin inhibitor with human thrombin and a c-terminal hirudin derived exo-sit inhibitor	2anm	79.34
113	895	Human Thrombin Hirugen Inhibitor complex	2jh5	79.31
114	0kv	Thrombin inhibitors with rigid tripeptidyl aldehydes	1ca8	79.29
115	r11	THROMBIN INHIBITOR COMPLEX	1g32	79.29
116	uet	Thrombin in complex with (2R)-2-(benzylsulfonylamino)-N-(2-((4- carbamimidoylphenyl)methylamino)-2-oxo-propyl)-3-phenyl-propanamide	5afz	78.77
117	91u	Thrombin Inhibition	3f68	78.75
118	c24	Thrombin Inhibitor Complex	1kts	78.73
119	n12	orally active thrombin inhibitors in complex with thrombin and an exosite decapeptide	2ank	78.54
120	s04	Human Thrombin in complex with MI004	3rmo	78.42
121	i11	BOVINE THROMBIN--BM51.1011 COMPLEX	1uvs	78.23
122	110	CRYSTAL STRUCTURE OF HUMAN ALPHA-THROMBIN COMPLEXED WITH BCH-10556 AND EXOSITE-DIRECTED PEPTIDE	1g37	78.22
123	176	Crystal structure of thrombin in complex with compound 1	1ta2	78.16
124	unb	thrombin in complex with inhibitor	2bdy	78.07
125	062	Thrombin in complex with an azafluorenyl inhibitor 23b	1zrb	77.94
126	sjr	Thrombin in complex with 4-Methoxy-N-(2-pyridinyl)benzamide	5af9	77.86
127	9mu	Human thrombin - inhibitor complex	4az2	77.64
128	33u	Bisphenylic Thrombin Inhibitors	2zo3	77.39
129	81a	Crystal Structure Analysis of a novel Oxyguanidine bound to Thrombin	1t4u	77.13
130	m32	Human Thrombin in complex with MI332	3rmm	77.12
131	m41	Human Thrombin in complex with MI341	3rmn	77.05
132	00k	THROMBIN COMPLEXED WITH HIRUGEN AND A BETA-STRAND MIMETIC INHIBITOR	1a46	76.88
133	163	Human Thrombin complexed with a d-Phe-Pro-Arg-type Inhibitor and a C-terminal Hirudin derived exo-site inhibitor	1o0d	76.79
134	165	Novel Non-Covalent Thrombin Inhibitors Incorporating P1 4,5,6,7-Tetrahydrobenzothiazole Arginine Side Chain Mimetics	1sb1	76.12
135	ra8	X-ray crystal structure of thrombin inhibited by synthetic cyanopeptide analogue RA-1008	1ypl	75.31
136	t15	Crystal structure of thrombin in complex with inhibitor 15	3c1k	75.09
137	0ze	HUMAN THROMBIN COMPLEXED WITH NOVEL SYNTHETIC PEPTIDE MIMETIC INHIBITOR AND HIRUGEN	1b5g	74.43
138	44u	Crystal structure of thrombin in complex with inhibitor	3da9	73.73
139	t42	HUMAN ALPHA-THROMBIN TERNARY COMPLEX WITH THE EXOSITE INHIBITOR HIRUGEN AND ACTIVE SITE INHIBITOR PHCH2OCO-D-DPA-PRO-BOROMPG	1ai8	71.57
140	bt3	CRYSTAL STRUCTURE OF HUMAN APLHA-THROMBIN IN COMPLEX WITH BENZO[B]THIOPHENE INHIBITOR 3	1d3p	71.16
141	bzt	CRYSTAL STRUCTURE OF HUMAN ALPHA THROMBIN IN COMPLEX WITH BENZOTHIOPHENE INHIBITOR 4	1d3d	70.76
142	bt2	CRYSTAL STRUCTURE OF HUMAN ALPHA THROMBIN IN COMPLEX WITH BENZO[B]THIOPHENE INHIBITOR 2	1d3q	68.69
143	897	Thrombin-hirugen-gw420128 ternary complex at 1.39A resolution	2uuk	68.1
144	t87	THROMBIN INHIBITOR COMPLEX	1g30	67.9
145	bt1	CRYSTAL STRUCTURE OF HUMAN ALPHA THROMBIN IN COMPLEX WITH BENZO[B]THIOPHENE INHIBITOR 1	1d3t	67.33
146	2ce	Human thrombin complexed with fragment-based small molecules occupying the S1 pocket	2bvs	67
147	i25	Thrombin with 3-cycle no F	2v3h	64
148	4cp	Human thrombin complexed with fragment-based small molecules occupying the S1 pocket	2bvr	62.48
149	s54	Human Thrombin in complex with MI354	3rm0	53.24