Reaction Details Report a problem with these data
Target
Coagulation factor X
Ligand
BDBM50448581
Substrate
n/a
Meas. Tech.
ChEMBL_1296330 (CHEMBL3129589)
Ki
340±n/a nM
Citation
 Quan, ML; Wong, PC; Wang, C; Woerner, F; Smallheer, JM; Barbera, FA; Bozarth, JM; Brown, RL; Harpel, MR; Luettgen, JM; Morin, PE; Peterson, T; Ramamurthy, V; Rendina, AR; Rossi, KA; Watson, CA; Wei, A; Zhang, G; Seiffert, D; Wexler, RR Tetrahydroquinoline derivatives as potent and selective factor XIa inhibitors. J Med Chem 57:955-69 (2014) [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:
BDBM50448581
Synonyms:
CHEMBL3127463
Type:
Small organic molecule
Emp. Form.:
C36H37N5O4
Mol. Mass.:
603.7101
SMILES:
CC(C)CC(=O)Nc1cc(cc(c1)-c1ccc(cc1C(O)=O)C(N)=O)C1CC(C)(c2ccccc2)c2cc(ccc2N1)C(N)=N
Structure:
Search PDB for entries with ligand similarity: