Reaction Details Report a problem with these data
Target
Coagulation factor X
Ligand
BDBM50066628
Substrate
n/a
Meas. Tech.
ChEMBL_48821 (CHEMBL661794)
Ki
0.71±n/a nM
Citation
Phillips, GB; Buckman, BO; Davey, DD; Eagen, KA; Guilford, WJ; Hinchman, J; Ho, E; Koovakkat, S; Liang, A; Light, DR; Mohan, R; Ng, HP; Post, JM; Shaw, KJ; Smith, D; Subramanyam, B; Sullivan, ME; Trinh, L; Vergona, R; Walters, J; White, K; Whitlow, M; Wu, S; Xu, W; Morrissey, MM Discovery of N-[2-[5-[Amino(imino)methyl]-2-hydroxyphenoxy]-3, 5-difluoro-6-[3-(4, 5-dihydro-1-methyl-1H-imidazol-2-yl)phenoxy]pyridin-4-yl]-N-methylgl y cine (ZK-807834): a potent, selective, and orally active inhibitor of the blood coagulation enzyme factor Xa. J Med Chem 41:3557-62 (1998) [PubMed] Article
More Info.:
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:
Human
Description:
n/a
Residue:
488
Sequence:
MGRPLHLVLLSASLAGLLLLGESLFIRREQANNILARVTRANSFLEEMKKGHLERECMEETCSYEEAREVFEDSDKTNEFWNKYKDGDQCETSPCQNQGKCKDGLGEYTCTCLEGFEGKNCELFTRKLCSLDNGDCDQFCHEEQNSVVCSCARGYTLADNGKACIPTGPYPCGKQTLERRKRSVAQATSSSGEAPDSITWKPYDAADLDPTENPFDLLDFNQTQPERGDNNLTRIVGGQECKDGECPWQALLINEENEGFCGGTILSEFYILTAAHCLYQAKRFKVRVGDRNTEQEEGGEAVHEVEVVIKHNRFTKETYDFDIAVLRLKTPITFRMNVAPACLPERDWAESTLMTQKTGIVSGFGRTHEKGRQSTRLKMLEVPYVDRNSCKLSSSFIITQNMFCAGYDTKQEDACQGDSGGPHVTRFKDTYFVTGIVSWGEGCARKGKYGIYTKVTAFLKWIDRSMKTRGLPKAKSHAPEVITSSPLK
Inhibitor
Name:
BDBM50066628
Synonyms:
(2S,4R)-4-[2-(5-Carbamimidoyl-2-hydroxy-phenoxy)-6-(3-dimethylcarbamoyl-phenoxy)-3,5-difluoro-pyridin-4-yloxy]-pyrrolidine-2-carboxylic acid ethyl ester | CHEMBL332388
Type:
Small organic molecule
Emp. Form.:
C28H29F2N5O7
Mol. Mass.:
585.556
SMILES:
CCOC(=O)[C@@H]1C[C@H](CN1)Oc1c(F)c(Oc2cccc(c2)C(=O)N(C)C)nc(Oc2cc(ccc2O)C(N)=N)c1F