Reaction Details Report a problem with these data
Target
Prothrombin
Ligand
BDBM17236
Substrate
BDBM12680
Meas. Tech.
Enzyme Inhibition Assay
Ki
>5000±n/a nM
Citation
Kochanny, MJ; Adler, M; Ewing, J; Griedel, BD; Ho, E; Karanjawala, R; Lee, W; Lentz, D; Liang, AM; Morrissey, MM; Phillips, GB; Post, J; Sacchi, KL; Sakata, ST; Subramanyam, B; Vergona, R; Walters, J; White, KA; Whitlow, M; Ye, B; Zhao, Z; Shaw, KJ Substituted thiophene-anthranilamides as potent inhibitors of human factor Xa. Bioorg Med Chem 15:2127-46 (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:
Homo sapiens (Human)
Description:
P00734
Residue:
622
Sequence:
MAHVRGLQLPGCLALAALCSLVHSQHVFLAPQQARSLLQRVRRANTFLEEVRKGNLERECVEETCSYEEAFEALESSTATDVFWAKYTACETARTPRDKLAACLEGNCAEGLGTNYRGHVNITRSGIECQLWRSRYPHKPEINSTTHPGADLQENFCRNPDSSTTGPWCYTTDPTVRRQECSIPVCGQDQVTVAMTPRSEGSSVNLSPPLEQCVPDRGQQYQGRLAVTTHGLPCLAWASAQAKALSKHQDFNSAVQLVENFCRNPDGDEEGVWCYVAGKPGDFGYCDLNYCEEAVEEETGDGLDEDSDRAIEGRTATSEYQTFFNPRTFGSGEADCGLRPLFEKKSLEDKTERELLESYIDGRIVEGSDAEIGMSPWQVMLFRKSPQELLCGASLISDRWVLTAAHCLLYPPWDKNFTENDLLVRIGKHSRTRYERNIEKISMLEKIYIHPRYNWRENLDRDIALMKLKKPVAFSDYIHPVCLPDRETAASLLQAGYKGRVTGWGNLKETWTANVGKGQPSVLQVVNLPIVERPVCKDSTRIRITDNMFCAGYKPDEGKRGDACEGDSGGPFVMKSPFNNRWYQMGIVSWGEGCDRDGKYGFYTHVFRLKKWIQKVIDQFGE
Inhibitor
Name:
BDBM17236
Synonyms:
2-(4-{[3-chloro-2-({4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl}carbamoyl)-1-benzothiophen-6-yl]methyl}piperazin-1-yl)acetic acid | benzothiophene compound, 16
Type:
Small organic molecule
Emp. Form.:
C29H25Cl3N4O4S
Mol. Mass.:
631.957
SMILES:
OC(=O)CN1CCN(Cc2ccc3c(Cl)c(sc3c2)C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cc2)CC1
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