Target
Prothrombin
Ligand
BDBM50075934
Substrate
n/a
Meas. Tech.
ChEBML_209092
Ki
0.400000±n/a nM
Citation
 Zhang, MBailey, DLBastian, JABriggs, SLChirgadze, NYClawson, DKDenney, MLGifford-Moore, DSHarper, RWJohnson, LMKlimkowski, VJKohn, TJLin, HSMcCowan, JRRichett, MESall, DJSmith, AJSmith, GFSnyder, DWTakeuchi, KUtterback, BGYan, 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:
BDBM50075934
Synonyms:
2-[4-(2-Amino-3-hydroxy-propoxy)-phenyl]-3-(3-methoxy-4-pyrrolidin-1-ylmethyl-benzyl)-benzo[b]thiophen-6-ol | CHEMBL350351
Type:
Small organic molecule
Emp. Form.:
C30H34N2O4S
Mol. Mass.:
518.667
SMILES:
COc1cc(Cc2c(sc3cc(O)ccc23)-c2ccc(OCC(N)CO)cc2)ccc1CN1CCCC1
Structure:
Search PDB for entries with ligand similarity: