Reaction Details Report a problem with these data
Target
Coagulation factor X
Ligand
BDBM50306146
Substrate
n/a
Meas. Tech.
ChEMBL_606078 (CHEMBL1071977)
Ki
0.8±n/a nM
Citation
 Kleanthous, S; Borthwick, AD; Brown, D; Burns-Kurtis, CL; Campbell, M; Chaudry, L; Chan, C; Clarte, MO; Convery, MA; Harling, JD; Hortense, E; Irving, WR; Irvine, S; Pateman, AJ; Patikis, AN; Pinto, IL; Pollard, DR; Roethka, TJ; Senger, S; Shah, GP; Stelman, GJ; Toomey, JR; Watson, NS; West, RI; Whittaker, C; Zhou, P; Young, RJ Structure and property based design of factor Xa inhibitors: pyrrolidin-2-ones with monoaryl P4 motifs. Bioorg Med Chem Lett 20:618-22 (2010) [PubMed]  Article 
Target
Name:
Coagulation factor X
Synonyms:
Activated coagulation factor X (FXa) | Activated factor Xa heavy chain | Coagulation factor X precursor | Coagulation factor Xa | F10 | FA10_HUMAN | Factor X heavy chain | Factor X light chain | Factor Xa | Stuart factor | Stuart-Prower factor
Type:
Enzyme
Mol. Mass.:
54726.60
Organism:
Homo sapiens (Human)
Description:
n/a
Residue:
488
Sequence:
MGRPLHLVLLSASLAGLLLLGESLFIRREQANNILARVTRANSFLEEMKKGHLERECMEETCSYEEAREVFEDSDKTNEFWNKYKDGDQCETSPCQNQGKCKDGLGEYTCTCLEGFEGKNCELFTRKLCSLDNGDCDQFCHEEQNSVVCSCARGYTLADNGKACIPTGPYPCGKQTLERRKRSVAQATSSSGEAPDSITWKPYDAADLDPTENPFDLLDFNQTQPERGDNNLTRIVGGQECKDGECPWQALLINEENEGFCGGTILSEFYILTAAHCLYQAKRFKVRVGDRNTEQEEGGEAVHEVEVVIKHNRFTKETYDFDIAVLRLKTPITFRMNVAPACLPERDWAESTLMTQKTGIVSGFGRTHEKGRQSTRLKMLEVPYVDRNSCKLSSSFIITQNMFCAGYDTKQEDACQGDSGGPHVTRFKDTYFVTGIVSWGEGCARKGKYGIYTKVTAFLKWIDRSMKTRGLPKAKSHAPEVITSSPLK
  
Inhibitor
Name:
BDBM50306146
Synonyms:
(E)-2-(5-CHLOROTHIOPHEN-2-YL)-N-[(3S)-1-{4-[(1S)-1-(DIMETHYLAMINO)ETHYL]-2-FLUOROPHENYL}-2-OXOPYRROLIDIN-3-YL]ETHENESULFONAMIDE | 2-(5-chlorothiophen-2-yl)-N-((S)-1-(4-((S)-1-(dimethylamino)ethyl)-2-fluorophenyl)-2-oxopyrrolidin-3-yl)ethenesulfonamide | CHEMBL595477
Type:
Small organic molecule
Emp. Form.:
C20H23ClFN3O3S2
Mol. Mass.:
471.996
SMILES:
C[C@H](N(C)C)c1ccc(N2CC[C@H](NS(=O)(=O)\C=C\c3ccc(Cl)s3)C2=O)c(F)c1 |r|
Structure:
Search PDB for entries with ligand similarity: