Target
Prothrombin
Ligand
BDBM17236
Substrate
BDBM12680
Meas. Tech.
Enzyme Inhibition Assay
Ki
>5000±n/a nM
Citation
 Kochanny, MJAdler, MEwing, JGriedel, BDHo, EKaranjawala, RLee, WLentz, DLiang, AMMorrissey, MMPhillips, GBPost, JSacchi, KLSakata, STSubramanyam, BVergona, RWalters, JWhite, KAWhitlow, MYe, BZhao, ZShaw, KJ Substituted thiophene-anthranilamides as potent inhibitors of human factor Xa. Bioorg Med Chem 15:2127-46 (2007) [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:
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
Structure:
Search PDB for entries with ligand similarity:
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
Structure:
Search PDB for entries with ligand similarity: