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Target
Prothrombin
Ligand
BDBM50307099
Substrate
n/a
Meas. Tech.
ChEMBL_609370 (CHEMBL1072756)
Ki
>6000±n/a nM
Citation
 Quan, ML; Pinto, DJ; Rossi, KA; Sheriff, S; Alexander, RS; Amparo, E; Kish, K; Knabb, RM; Luettgen, JM; Morin, P; Smallwood, A; Woerner, FJ; Wexler, RR Phenyltriazolinones as potent factor Xa inhibitors. Bioorg Med Chem Lett 20:1373-7 (2010) [PubMed]  Article 
Target
Name:
Prothrombin
Synonyms:
Activation peptide fragment 1 | Activation peptide fragment 2 | Coagulation factor II | F2 | Prothrombin precursor | THRB_HUMAN | Thrombin heavy chain | Thrombin light chain
Type:
Protein
Mol. Mass.:
70029.57
Organism:
Homo sapiens (Human)
Description:
P00734
Residue:
622
Sequence:
MAHVRGLQLPGCLALAALCSLVHSQHVFLAPQQARSLLQRVRRANTFLEEVRKGNLERECVEETCSYEEAFEALESSTATDVFWAKYTACETARTPRDKLAACLEGNCAEGLGTNYRGHVNITRSGIECQLWRSRYPHKPEINSTTHPGADLQENFCRNPDSSTTGPWCYTTDPTVRRQECSIPVCGQDQVTVAMTPRSEGSSVNLSPPLEQCVPDRGQQYQGRLAVTTHGLPCLAWASAQAKALSKHQDFNSAVQLVENFCRNPDGDEEGVWCYVAGKPGDFGYCDLNYCEEAVEEETGDGLDEDSDRAIEGRTATSEYQTFFNPRTFGSGEADCGLRPLFEKKSLEDKTERELLESYIDGRIVEGSDAEIGMSPWQVMLFRKSPQELLCGASLISDRWVLTAAHCLLYPPWDKNFTENDLLVRIGKHSRTRYERNIEKISMLEKIYIHPRYNWRENLDRDIALMKLKKPVAFSDYIHPVCLPDRETAASLLQAGYKGRVTGWGNLKETWTANVGKGQPSVLQVVNLPIVERPVCKDSTRIRITDNMFCAGYKPDEGKRGDACEGDSGGPFVMKSPFNNRWYQMGIVSWGEGCDRDGKYGFYTHVFRLKKWIQKVIDQFGE
  
Inhibitor
Name:
BDBM50307099
Synonyms:
(R)-6-(2'-((3-hydroxypyrrolidin-1-yl)methyl)biphenyl-4-yl)-1-(3-(5-oxo-4,5-dihydro-1h-1,2,4-triazol-3-yl)phenyl)-3-(trifluoromethyl)-5,6-dihydro-1h-pyrazolo[3,4-c]pyridin-7(4h)-one | 6-(2'-(((R)-3-hydroxypyrrolidin-1-yl)methyl)biphenyl-4-yl)-1-(3-(5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)phenyl)-3-(trifluoromethyl)-3a,4,5,6-tetrahydro-1H-pyrazolo[3,4-c]pyridin-7(7aH)-one | CHEMBL577677
Type:
Small organic molecule
Emp. Form.:
C32H28F3N7O3
Mol. Mass.:
615.605
SMILES:
O[C@@H]1CCN(Cc2ccccc2-c2ccc(cc2)N2CCc3c(nn(c3C2=O)-c2cccc(c2)-c2n[nH]c(=O)[nH]2)C(F)(F)F)C1 |r|
Structure:
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