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Target
Prothrombin
Ligand
BDBM17119
Substrate
BDBM12680
Meas. Tech.
Enzyme Inhibition Assay
Ki
90±n/a nM
Citation
Ye, B; Arnaiz, DO; Chou, YL; Griedel, BD; Karanjawala, R; Lee, W; Morrissey, MM; Sacchi, KL; Sakata, ST; Shaw, KJ; Wu, SC; Zhao, Z; Adler, M; Cheeseman, S; Dole, WP; Ewing, J; Fitch, R; Lentz, D; Liang, A; Light, D; Morser, J; Post, J; Rumennik, G; Subramanyam, B; Sullivan, ME; Vergona, R; Walters, J; Wang, YX; White, KA; Whitlow, M; Kochanny, MJ Thiophene-anthranilamides as highly potent and orally available factor xa inhibitors J Med Chem 50:2967-80 (2007) [PubMed] Article
More Info.:
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:
Human
Description:
P00734
Residue:
622
Sequence:
MAHVRGLQLPGCLALAALCSLVHSQHVFLAPQQARSLLQRVRRANTFLEEVRKGNLERECVEETCSYEEAFEALESSTATDVFWAKYTACETARTPRDKLAACLEGNCAEGLGTNYRGHVNITRSGIECQLWRSRYPHKPEINSTTHPGADLQENFCRNPDSSTTGPWCYTTDPTVRRQECSIPVCGQDQVTVAMTPRSEGSSVNLSPPLEQCVPDRGQQYQGRLAVTTHGLPCLAWASAQAKALSKHQDFNSAVQLVENFCRNPDGDEEGVWCYVAGKPGDFGYCDLNYCEEAVEEETGDGLDEDSDRAIEGRTATSEYQTFFNPRTFGSGEADCGLRPLFEKKSLEDKTERELLESYIDGRIVEGSDAEIGMSPWQVMLFRKSPQELLCGASLISDRWVLTAAHCLLYPPWDKNFTENDLLVRIGKHSRTRYERNIEKISMLEKIYIHPRYNWRENLDRDIALMKLKKPVAFSDYIHPVCLPDRETAASLLQAGYKGRVTGWGNLKETWTANVGKGQPSVLQVVNLPIVERPVCKDSTRIRITDNMFCAGYKPDEGKRGDACEGDSGGPFVMKSPFNNRWYQMGIVSWGEGCDRDGKYGFYTHVFRLKKWIQKVIDQFGE
Inhibitor
Name:
BDBM17119
Synonyms:
3-chloro-N-{4-chloro-2-[(5-chloropyridin-2-yl)carbamoyl]-6-methoxyphenyl}-4-{[methyl(4-oxo-4,5-dihydro-1,3-oxazol-2-yl)amino]methyl}thiophene-2-carboxamide | Thiophene-Anthranilamide, 13i
Type:
Small organic molecule
Emp. Form.:
C23H18Cl3N5O5S
Mol. Mass.:
582.844
SMILES:
COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1scc(CN(C)c2nc(O)co2)c1Cl
Substrate
Name:
BDBM12680
Synonyms:
(2S)-N-[(2S)-5-carbamimidamido-2-[(4-nitrophenyl)amino]pentanoyl]-3-phenyl-2-[(2R)-pyrrolidin-2-ylformamido]propanamide | Chromogenic Substrate S-2302 | H-D-Pro-Phe-Arg-p-nitroanilide | prolyl-phenylalanyl-arginine-p-nitroanilide
Type:
Small organic molecule
Emp. Form.:
C26H34N8O5
Mol. Mass.:
538.5988
SMILES:
N\C([NH-])=[NH+]/CCCC(NC(=O)C(Cc1ccccc1)NC(=O)C1CCCN1)C(=O)Nc1ccc(cc1)[N+]([O-])=O