Reaction Details Report a problem with these data
Target
Prothrombin
Ligand
BDBM50358883
Substrate
n/a
Meas. Tech.
ChEMBL_790748 (CHEMBL1926201)
Ki
3280±n/a nM
Citation
 Shi, Y; O'Connor, SP; Sitkoff, D; Zhang, J; Shi, M; Bisaha, SN; Wang, Y; Li, C; Ruan, Z; Lawrence, RM; Klei, HE; Kish, K; Liu, EC; Seiler, SM; Schweizer, L; Steinbacher, TE; Schumacher, WA; Robl, JA; Macor, JE; Atwal, KS; Stein, PD Arylsulfonamidopiperidone derivatives as a novel class of factor Xa inhibitors. Bioorg Med Chem Lett 21:7516-21 (2011) [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:
BDBM50358883
Synonyms:
CHEMBL1923468
Type:
Small organic molecule
Emp. Form.:
C28H29ClN4O5S
Mol. Mass.:
569.072
SMILES:
Clc1ccc2cc(ccc2c1)S(=O)(=O)N[C@H]1CCCN(CC(=O)N2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)C1=O |r|
Structure:
Search PDB for entries with ligand similarity: