P00734 | THRB_HUMAN | Prothrombin (F2)

Pfam Domain Table

AccessionDomainRangeColor
PF00051Kringle - Kringle domain108~186
PF00051Kringle - Kringle domain213~291
PF00089Trypsin - Trypsin364~613
PF00594Gla - Vitamin K-dependent carboxylation/gamma-carboxyglutamic (GLA) domain48~88
PF09396Thrombin_light - Thrombin light chain317~363

3D structures mapped by conservation among orthologs

[ Domain: "FMN-binding split barrel" // Thrombin_light_1 ]

 PyMOL session

[ Domain: "FMN-binding split barrel" // Thrombin_light ]

 PyMOL session

[ Domain: "FMN-binding split barrel" // Thrombin_light_1,Trypsin ]

 PyMOL session

[ Domain: "FMN-binding split barrel" // Thrombin_light,Trypsin ]

 PyMOL session

[ Domain: "FMN-binding split barrel 2" // Thrombin_light_1,Trypsin ]

 PyMOL session

[ Domain: "FMN-binding split barrel 2" // Trypsin ]

 PyMOL session

[ Domain: "Kringle-like" // Kringle ]

 PyMOL session

[ Domain: "GLA-domain" // Gla_like ]

 PyMOL session

[ Domain: "GLA-domain" // Gla_like,Gla ]

 PyMOL session


[ Alpha Fold Model ] (go)



Known binders annotated in ChEMBL

 IC50 CSV    Ki CSV
Only the first 20 rows are shown.
molecule_chembl_idstructureassay_typerelation valueunitmol_wtsmilesorganism assay_chembl_idbao_label
CHEMBL275366 IC50 = 0.0017 nM 418.5 NC(N)=NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccccc1)C(=O)O Homo sapiens CHEMBL816070 single protein format
CHEMBL105819 IC50 = 0.008 nM 555.64 CC(O)[C@@H](C(=O)N[C@H](C)c1ccccc1)N(C)C(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)CCCN=C(N)N Homo sapiens CHEMBL815795 single protein format
CHEMBL4108739 IC50 = 0.01 nM 505.97 COc1cc(C(=O)N2CC(C)(CCO)OC[C@H]2C)cc2nc(N[C@@H](CF)c3cccc(Cl)c3)oc12 Homo sapiens CHEMBL3889250 single protein format
CHEMBL273196 IC50 = 0.03 nM 416.53 CN[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C=O)CCCN=C(N)N Homo sapiens CHEMBL815795 single protein format
CHEMBL143418 IC50 = 0.042 nM 443.46 Cc1nc(N)ccc1CNC(=O)Cn1c(C)cnc(NCC(F)(F)c2ccccn2)c1=O Homo sapiens CHEMBL3134872 single protein format
CHEMBL3084831 IC50 = 0.1 nM 576.72 CCCCOC(=O)C(=O)C(NC(=O)[C@@H]1CC[C@H]2CN(S(=O)(=O)Cc3ccccc3)CC(=O)N21)[C@H]1CC[C@H](N)CC1 Homo sapiens CHEMBL644679 single protein format
CHEMBL3349684 IC50 = 0.1 nM 448.61 N[C@@H](C(=O)N1CCC[C@H]1C(=O)NC[C@H]1CC[C@H](N)CC1)C(c1ccccc1)c1ccccc1 Homo sapiens CHEMBL808337 single protein format
CHEMBL4111930 IC50 = 0.1 nM 520.0 COc1cc(C(=O)N2CC(C)(CC(C)O)OC[C@H]2C)cc2nc(NC(CF)c3cccc(Cl)c3)oc12 Homo sapiens CHEMBL3889250 single protein format
CHEMBL4476621 IC50 = 0.103 nM 356.23 O=C(NNC(=S)Nc1ccc(Cl)c(Cl)c1)c1ccccc1O Homo sapiens CHEMBL4383330 single protein format
CHEMBL4108161 IC50 = 0.16 nM 491.95 CCO[C@@H]1CC(CO)N(C(=O)c2cc(OC)c3oc(N[C@H](CF)c4cccc(Cl)c4)nc3c2)C1 Homo sapiens CHEMBL3889250 single protein format
CHEMBL4109095 IC50 = 0.19 nM 491.95 CCO[C@@H]1CC(CO)N(C(=O)c2cc(OC)c3oc(NC(CF)c4cccc(Cl)c4)nc3c2)C1 Homo sapiens CHEMBL3889250 single protein format
CHEMBL4107222 IC50 = 0.2 nM 505.97 COc1cc(C(=O)N2CC(C)(CCO)OC[C@H]2C)cc2nc(NC(CF)c3cccc(Cl)c3)oc12 Homo sapiens CHEMBL3889250 single protein format
CHEMBL3889734 IC50 = 0.3 nM 517.99 COc1cc(C(=O)N2C[C@H](C)OC[C@H]2C2CC(O)C2)cc2nc(NC(CF)c3cccc(Cl)c3)oc12 Homo sapiens CHEMBL3889250 single protein format
CHEMBL3948815 IC50 = 0.37 nM 517.99 COc1cc(C(=O)N2C[C@H](C)OC[C@@H]2C2CC(O)C2)cc2nc(NC(CF)c3cccc(Cl)c3)oc12 Homo sapiens CHEMBL3889250 single protein format
CHEMBL4114319 IC50 = 0.38 nM 486.93 COc1cc(C(=O)N2CC3(CC3)NC(=O)C2C)cc2nc(N[C@H](CF)c3cccc(Cl)c3)oc12 Homo sapiens CHEMBL3889250 single protein format
CHEMBL289389 IC50 = 0.467 nM 476.56 Cc1ccc(NS(=O)(=O)Cc2ccccc2)c(=O)n1CC(=O)N[C@H]1CCCN(C(=N)N)C1O Homo sapiens CHEMBL818159 single protein format
CHEMBL3944800 IC50 = 0.47 nM 517.99 COc1cc(C(=O)N2CC(C)OCC2C2CC(O)C2)cc2nc(NC(CF)c3cccc(Cl)c3)oc12 Homo sapiens CHEMBL3889250 single protein format
CHEMBL41267 IC50 = 0.505 nM 462.53 N=C(N)N1CCC[C@H](NC(=O)Cn2cccc(NS(=O)(=O)Cc3ccccc3)c2=O)C1O Homo sapiens CHEMBL815796 single protein format
CHEMBL141424 IC50 = 0.67 nM 506.63 N=C(N)N1CCC[C@@H](C[C@@H](C=O)NC(=O)CN2CCC[C@H](NS(=O)(=O)Cc3ccccc3)C2=O)C1 Homo sapiens CHEMBL811069 single protein format
CHEMBL423543 IC50 = 0.7 nM 415.54 CN[C@H](Cc1ccccc1)C(=O)N1CCC[C@@H]1C(=O)N[C@H]1CCCC(C(=N)N)C1O Homo sapiens CHEMBL816448 single protein format