Reaction Details  Report a problem with these data
Target
Prothrombin
Ligand
BDBM50052424
Substrate
n/a
Meas. Tech.
ChEMBL_208545 (CHEMBL879195)
Ki
16000±n/a nM
Citation
 Costanzo, MJ; Maryanoff, BE; Hecker, LR; Schott, MR; Yabut, SC; Zhang, HC; Andrade-Gordon, P; Kauffman, JA; Lewis, JM; Krishnan, R; Tulinsky, A Potent thrombin inhibitors that probe the S1 subsite: tripeptide transition state analogues based on a heterocycle-activated carbonyl group. J Med Chem 39:3039-43 (1996) [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:
BDBM50052424
Synonyms:
2-{1-hydroxy-5-imino(4-methylphenylsulfonamido)methylamino-2-[1-(N-methylbenzyloxycarbonyl amino-3-phenylpropanoyl)tetrahydro-1H-2-pyrrolylcarboxamido]pentyl}benzo[d][1,3]thiazole | CHEMBL322444
Type:
Small organic molecule
Emp. Form.:
C43H49N7O7S2
Mol. Mass.:
840.022
SMILES:
CN([C@@H](Cc1ccccc1)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CCCNC(=N)NS(=O)(=O)c1ccc(C)cc1)C(O)c1nc2ccccc2s1)C(=O)OCc1ccccc1
Structure:
Search PDB for entries with ligand similarity: