Reaction Details Report a problem with these data
Target
Prothrombin
Ligand
BDBM50066767
Substrate
n/a
Meas. Tech.
ChEMBL_208534 (CHEMBL813628)
Ki
62400.0±n/a nM
Citation
 Wagner, J; Kallen, J; Ehrhardt, C; Evenou, JP; Wagner, D Rational design, synthesis, and X-ray structure of selective noncovalent thrombin inhibitors. J Med Chem 41:3664-74 (1998) [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:
BDBM50066767
Synonyms:
(3R,6R,8aS)-6-Amino-5-oxo-hexahydro-thiazolo[3,2-a]pyridine-3-carboxylic acid (4-guanidino-butyl)-amide; TFA | CHEMBL332426
Type:
Small organic molecule
Emp. Form.:
C13H24N6O2S
Mol. Mass.:
328.434
SMILES:
N[C@@H]1CC[C@@H]2SC[C@H](N2C1=O)C(=O)NCCCCNC(N)=N
Structure:
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