Reaction Details Report a problem with these data
Target
Prothrombin
Ligand
BDBM50206985
Substrate
n/a
Meas. Tech.
ChEMBL_454790 (CHEMBL886818)
Ki
17±n/a nM
Citation
 Senger, S; Chan, C; Convery, MA; Hubbard, JA; Shah, GP; Watson, NS; Young, RJ Sulfonamide-related conformational effects and their importance in structure-based design. Bioorg Med Chem Lett 17:2931-4 (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:
BDBM50206985
Synonyms:
2-(5-CHLORO-2-THIENYL)-N-{(3S)-1-[(1S)-1-METHYL-2-MORPHOLIN-4-YL-2-OXOETHYL]-2-OXOPYRROLIDIN-3-YL}ETHANESULFONAMIDE | 2-(5-chlorothiophen-2-yl)-N-((S)-1-((S)-1-morpholino-1-oxopropan-2-yl)-2-oxopyrrolidin-3-yl)ethanesulfonamide | CHEMBL391737
Type:
Small organic molecule
Emp. Form.:
C17H24ClN3O5S2
Mol. Mass.:
449.973
SMILES:
C[C@H](N1CC[C@H](NS(=O)(=O)CCc2ccc(Cl)s2)C1=O)C(=O)N1CCOCC1
Structure:
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