Reaction Details Report a problem with these data
Target
Prothrombin
Ligand
BDBM50075930
Substrate
n/a
Meas. Tech.
ChEBML_209092
Ki
4.1±n/a nM
Citation
 Zhang, M; Bailey, DL; Bastian, JA; Briggs, SL; Chirgadze, NY; Clawson, DK; Denney, ML; Gifford-Moore, DS; Harper, RW; Johnson, LM; Klimkowski, VJ; Kohn, TJ; Lin, HS; McCowan, JR; Richett, ME; Sall, DJ; Smith, AJ; Smith, GF; Snyder, DW; Takeuchi, K; Utterback, BG; Yan, SC Dibasic benzo[b]thiophene derivatives as a novel class of active site directed thrombin inhibitors: 2. Sidechain optimization and demonstration of in vivo efficacy. Bioorg Med Chem Lett 9:775-80 (1999) [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:
BDBM50075930
Synonyms:
2-[4-(2-Pyrrolidin-1-yl-ethoxy)-phenyl]-3-(4-pyrrolidin-1-ylmethyl-benzyl)-benzo[b]thiophen-6-ol | CHEMBL18495
Type:
Small organic molecule
Emp. Form.:
C32H36N2O2S
Mol. Mass.:
512.705
SMILES:
Oc1ccc2c(Cc3ccc(CN4CCCC4)cc3)c(sc2c1)-c1ccc(OCCN2CCCC2)cc1
Structure:
Search PDB for entries with ligand similarity: