Target
Coagulation factor X
Ligand
BDBM50032864
Substrate
n/a
Meas. Tech.
ChEMBL_1443465 (CHEMBL3377179)
Ki
>8180±n/a nM
Citation
 Hangeland, JJFriends, TJRossi, KASmallheer, JMWang, CSun, ZCorte, JRFang, TWong, PCRendina, ARBarbera, FABozarth, JMLuettgen, JMWatson, CAZhang, GWei, ARamamurthy, VMorin, PEBisacchi, GSSubramaniam, SArunachalam, PMathur, ASeiffert, DAWexler, RRQuan, ML Phenylimidazoles as potent and selective inhibitors of coagulation factor XIa with in vivo antithrombotic activity. J Med Chem 57:9915-32 (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:
BDBM50032864
Synonyms:
CHEMBL3355666
Type:
Small organic molecule
Emp. Form.:
C29H33F3N4O5
Mol. Mass.:
574.5913
SMILES:
OC(=O)C(F)(F)F.COC(=O)c1ccc(cc1)-c1c[nH]c(n1)[C@H](Cc1ccccc1)NC(=O)[C@H]1CC[C@H](CN)CC1 |r,wU:22.23,33.34,wD:36.38,(24.99,-5.26,;26.33,-6.03,;26.33,-7.58,;27.66,-5.26,;28.99,-6.03,;28.99,-4.47,;27.66,-3.72,;28.82,-13.82,;29.44,-12.41,;28.53,-11.17,;29.14,-9.77,;27,-11.34,;26.09,-10.1,;24.56,-10.26,;23.94,-11.67,;24.84,-12.91,;26.37,-12.75,;22.41,-11.82,;21.64,-13.16,;20.14,-12.84,;19.98,-11.31,;21.38,-10.68,;18.65,-10.54,;18.65,-9,;19.98,-8.23,;21.31,-9,;22.65,-8.23,;22.65,-6.69,;21.31,-5.92,;19.98,-6.69,;17.31,-11.31,;15.98,-10.54,;15.98,-9,;14.64,-11.31,;14.65,-12.85,;13.31,-13.62,;11.97,-12.84,;10.63,-13.61,;9.31,-12.83,;11.98,-11.3,;13.32,-10.54,)|
Structure:
Search PDB for entries with ligand similarity: