Reaction Details Report a problem with these data
Target
Coagulation factor X
Ligand
BDBM50296274
Substrate
n/a
Meas. Tech.
ChEMBL_579862 (CHEMBL1063248)
IC50
11±n/a nM
Citation
 Shi, Y; Zhang, J; Shi, M; O'Connor, SP; Bisaha, SN; Li, C; Sitkoff, D; Pudzianowski, AT; Chong, S; Klei, HE; Kish, K; Yanchunas, J; Liu, EC; Hartl, KS; Seiler, SM; Steinbacher, TE; Schumacher, WA; Atwal, KS; Stein, PD Cyanoguanidine-based lactam derivatives as a novel class of orally bioavailable factor Xa inhibitors. Bioorg Med Chem Lett 19:4034-41 (2009) [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:
BDBM50296274
Synonyms:
(S)-2-cyano-1-(7-fluoro-2-methylbenzofuran-5-yl)-3-(2-oxo-1-(2-oxo-2-(pyrrolidin-1-yl)ethyl)azepan-3-yl)guanidine | CHEMBL561517
Type:
Small organic molecule
Emp. Form.:
C23H27FN6O3
Mol. Mass.:
454.4973
SMILES:
Cc1cc2cc(cc(F)c2o1)N=C(NC#N)N[C@H]1CCCCN(CC(=O)N2CCCC2)C1=O |r,w:11.12|
Structure:
Search PDB for entries with ligand similarity: