Reaction Details Report a problem with these data
Target
Coagulation factor X
Ligand
BDBM50306149
Substrate
n/a
Meas. Tech.
ChEMBL_606078 (CHEMBL1071977)
Ki
35±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:
BDBM50306149
Synonyms:
(S)-4-(3-(2-(5-chlorothiophen-2-yl)vinylsulfonamido)-2-oxopyrrolidin-1-yl)-3-fluoro-N-methylbenzamide | CHEMBL594516 | GTC000102A
Type:
Small organic molecule
Emp. Form.:
C18H17ClFN3O4S2
Mol. Mass.:
457.927
SMILES:
CNC(=O)c1ccc(N2CC[C@H](NS(=O)(=O)\C=C\c3ccc(Cl)s3)C2=O)c(F)c1 |r|
Structure:
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