Target
Coagulation factor IX
Ligand
BDBM12756
Substrate
BDBM12774
Meas. Tech.
Enzyme Assay and Determination of the Inhibition Constants.
Ki
7.9±n/a nM
Citation
 Smallheer, JMAlexander, RSWang, JWang, SNakajima, SRossi, KASmallwood, ABarbera, FBurdick, DLuettgen, JMKnabb, RMWexler, RRJadhav, PK SAR and factor IXa crystal structure of a dual inhibitor of factors IXa and Xa. Bioorg Med Chem Lett 14:5263-7 (2004) [PubMed]  Article 
Target
Name:
Coagulation factor IX
Synonyms:
Christmas factor | Coagulation factor IX precursor | Coagulation factor IX/VIII | Coagulation factor IXa | Coagulation factor IXa heavy chain | Coagulation factor IXa light chain | F9 | FA9_HUMAN | Factor IX | Factor IXa | Factor IXa (fIXa) | PTC | Plasma thromboplastin component
Type:
Enzyme
Mol. Mass.:
51768.83
Organism:
Homo sapiens (Human)
Description:
P00740
Residue:
461
Sequence:
MQRVNMIMAESPGLITICLLGYLLSAECTVFLDHENANKILNRPKRYNSGKLEEFVQGNLERECMEEKCSFEEAREVFENTERTTEFWKQYVDGDQCESNPCLNGGSCKDDINSYECWCPFGFEGKNCELDVTCNIKNGRCEQFCKNSADNKVVCSCTEGYRLAENQKSCEPAVPFPCGRVSVSQTSKLTRAETVFPDVDYVNSTEAETILDNITQSTQSFNDFTRVVGGEDAKPGQFPWQVVLNGKVDAFCGGSIVNEKWIVTAAHCVETGVKITVVAGEHNIEETEHTEQKRNVIRIIPHHNYNAAINKYNHDIALLELDEPLVLNSYVTPICIADKEYTNIFLKFGSGYVSGWGRVFHKGRSALVLQYLRVPLVDRATCLRSTKFTIYNNMFCAGFHEGGRDSCQGDSGGPHVTEVEGTSFLTGIISWGEECAMKGKYGIYTKVSRYVNWIKEKTKLT
  
Inhibitor
Name:
BDBM12756
Synonyms:
1-(3-carbamimidoylphenyl)-N-(2-fluoro-4-{3H-imidazo[4,5-c]pyridin-3-yl}phenyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide | pyrazole analog 3e
Type:
Small organic molecule
Emp. Form.:
C24H16F4N8O
Mol. Mass.:
508.4305
SMILES:
NC(=N)c1cccc(c1)-n1nc(cc1C(=O)Nc1ccc(cc1F)-n1cnc2ccncc12)C(F)(F)F
Structure:
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Substrate
Name:
BDBM12774
Synonyms:
(2S)-5-carbamimidamido-2-{2-[(2R)-3-(4-hydroxycyclohexyl)-2-methanesulfonamidopropanamido]acetamido}-N-(4-nitrophenyl)pentanamide; acetic acid | CH3-SO2-D-HHT-Gly-Arg-pNA | Factor IX Chromogenic Substrate | MS-D-HHT-Gly-Arg-pNA | Methylsulfonyl-D-hexahydrotyrosyl-glycyl-arginine-4-nitroanilide | N-Methylsulfonyl-D-hexahydrotyrosyl-glycyl-L-arginine-4-nitroanilide acetate | Spectrozyme tPA | tPA/Trypsin Substrate
Type:
Small organic molecule
Emp. Form.:
C24H38N8O8S
Mol. Mass.:
598.672
SMILES:
CS(=O)(=O)NC(CC1CCC(O)CC1)C(=O)NCC(=O)NC(CCC\[NH+]=C(\N)[NH-])C(=O)Nc1ccc(cc1)[N+]([O-])=O |(-14.85,4.9,;-14.08,3.57,;-12.75,4.34,;-15.42,2.8,;-13.31,2.23,;-11.77,2.23,;-11,.9,;-11.77,-.43,;-13.31,-.43,;-14.08,-1.77,;-13.31,-3.1,;-14.08,-4.44,;-11.77,-3.1,;-11,-1.77,;-11,3.57,;-11.77,4.9,;-9.46,3.57,;-8.69,2.23,;-7.15,2.23,;-6.38,3.57,;-6.38,.9,;-4.84,.9,;-4.07,-.43,;-4.84,-1.77,;-4.07,-3.1,;-4.84,-4.44,;-4.07,-5.77,;-4.84,-7.1,;-2.53,-5.77,;-4.07,2.23,;-4.84,3.57,;-2.53,2.23,;-1.76,3.57,;-2.53,4.9,;-1.76,6.23,;-.22,6.23,;.55,4.9,;-.22,3.57,;.55,7.57,;-.22,8.9,;2.09,7.57,)|
Structure:
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