Reaction Details Report a problem with these data
Target
Prothrombin
Ligand
BDBM50072524
Substrate
n/a
Meas. Tech.
ChEBML_225581
Ki
0.500000±n/a nM
Citation
St-Denis, Y; Augelli-Szafran, CE; Bachand, B; Berryman, KA; DiMaio, J; Doherty, AM; Edmunds, JJ; Leblond, L; Lévesque, S; Narasimhan, LS; Penvose-Yi, JR; Rubin, JR; Tarazi, M; Winocour, PD; Siddiqui, MA Potent bicyclic lactam inhibitors of thrombin: Part I: P3 modifications. Bioorg Med Chem Lett 8:3193-8 (1999) [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:
BDBM50072524
Synonyms:
(6S,8aS)-4-Oxo-2-[3-(2-trifluoromethyl-phenyl)-propionyl]-octahydro-pyrrolo[1,2-a]pyrazine-6-carboxylic acid [4-guanidino-1-(thiazole-2-carbonyl)-butyl]-amide | CHEMBL109883
Type:
Small organic molecule
Emp. Form.:
C27H32F3N7O4S
Mol. Mass.:
607.648
SMILES:
NC(=N)NCCCC(NC(=O)[C@@H]1CC[C@H]2CN(CC(=O)N12)C(=O)CCc1ccccc1C(F)(F)F)C(=O)c1nccs1