Reaction Details Report a problem with these data
Target
Prothrombin
Ligand
BDBM50126697
Substrate
n/a
Meas. Tech.
ChEMBL_208169 (CHEMBL814535)
Ki
6±n/a nM
Citation
 Greenidge, PA; Mérette, SA; Beck, R; Dodson, G; Goodwin, CA; Scully, MF; Spencer, J; Weiser, J; Deadman, JJ Generation of ligand conformations in continuum solvent consistent with protein active site topology: application to thrombin. J Med Chem 46:1293-305 (2003) [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:
BDBM50126697
Synonyms:
2-Nitro-benzenesulfonic acid 3-methyl-5-[2-(pyridin-4-ylamino)-ethoxy]-phenyl ester | CHEMBL25522
Type:
Small organic molecule
Emp. Form.:
C20H19N3O6S
Mol. Mass.:
429.446
SMILES:
Cc1cc(OCCNc2ccncc2)cc(OS(=O)(=O)c2ccccc2[N+]([O-])=O)c1
Structure:
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