Target
Prothrombin
Ligand
BDBM17131
Substrate
BDBM12680
Meas. Tech.
Enzyme Inhibition Assay
Ki
630±n/a nM
Citation
 Ye, BArnaiz, DOChou, YLGriedel, BDKaranjawala, RLee, WMorrissey, MMSacchi, KLSakata, STShaw, KJWu, SCZhao, ZAdler, MCheeseman, SDole, WPEwing, JFitch, RLentz, DLiang, ALight, DMorser, JPost, JRumennik, GSubramanyam, BSullivan, MEVergona, RWalters, JWang, YXWhite, KAWhitlow, MKochanny, MJ Thiophene-anthranilamides as highly potent and orally available factor xa inhibitors J Med Chem 50:2967-80 (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:
BDBM17131
Synonyms:
3-chloro-N-{4-chloro-2-[(5-chloropyridin-2-yl)carbamoyl]-6-methoxyphenyl}-4-(3-methylcarbamimidamidomethyl)thiophene-2-carboxamide | Thiophene-Anthranilamide, 17i
Type:
Small organic molecule
Emp. Form.:
C21H19Cl3N6O3S
Mol. Mass.:
541.838
SMILES:
COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1scc(CN(C)C(N)=N)c1Cl
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: