Reaction Details  Report a problem with these data
Target
Prothrombin
Ligand
BDBM12675
Substrate
BDBM12678
Meas. Tech.
Enzyme Assay and Determination of the Inhibition Constants.
Ki
1700±n/a nM
Citation
 Quan, ML; Lam, PY; Han, Q; Pinto, DJ; He, MY; Li, R; Ellis, CD; Clark, CG; Teleha, CA; Sun, JH; Alexander, RS; Bai, S; Luettgen, JM; Knabb, RM; Wong, PC; Wexler, RR Discovery of 1-(3'-aminobenzisoxazol-5'-yl)-3-trifluoromethyl-N-[2-fluoro-4-[(2'-dimethylaminomethyl)imidazol-1-yl]phenyl]-1H-pyrazole-5-carboxyamide hydrochloride (razaxaban), a highly potent, selective, and orally bioavailable factor Xa inhibitor. J Med Chem 48:1729-44 (2005) [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:
BDBM12675
Synonyms:
1-(3-amino-1,2-benzoxazol-5-yl)-N-(2-fluoro-4-{2-[(methylamino)methyl]-1H-imidazol-1-yl}phenyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide; bis(2,2,2-trifluoroacetic acid) | N-[4-(2-{[Methylamino]methyl}-1H-imidazol-1-yl)-2-fluorophenyl]-1-(3-amino-1,2-benzisoxazol-5-yl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide, Bis(trifluoroacetic acid) Salt | Razaxaban Analogue | aminobenzisoxazole 12
Type:
Small organic molecule
Emp. Form.:
C23H18F4N8O2
Mol. Mass.:
514.435
SMILES:
CNCc1nccn1-c1ccc(NC(=O)c2cc(nn2-c2ccc3onc(N)c3c2)C(F)(F)F)c(F)c1
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
BDBM12678
Synonyms:
(2S)-2-{[(2S)-1-[(2R)-2-amino-3-phenylpropanoyl]piperidin-2-yl]formamido}-5-carbamimidamido-N-(4-nitrophenyl)pentanamide | Chromogenic Substrate S-2238 | D-Phe-Pip-Arg-pNA | H-D-phenylalanyl-L-pipecolyl-L-arginine-p-nitroaniline dihydrochloride | N-(4-nitrophenyl)-N2-{[(2S)-1-D-phenylalanylpiperidin-2-yl]carbonyl}-L-argininamide
Type:
Small organic molecule
Emp. Form.:
C27H36N8O5
Mol. Mass.:
552.6253
SMILES:
N[C@H](Cc1ccccc1)C(=O)N1CCCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)Nc1ccc(cc1)[N+]([O-])=O |r|
Structure:
Search PDB for entries with ligand similarity: