Reaction Details Report a problem with these data
Target
Coagulation factor X
Ligand
BDBM13627
Substrate
n/a
Meas. Tech.
ChEBML_48815
Ki
4531±n/a nM
Citation
Nazaré, M; Matter, H; Klingler, O; Al-Obeidi, F; Schreuder, H; Zoller, G; Czech, J; Lorenz, M; Dudda, A; Peyman, A; Nestler, HP; Urmann, M; Bauer, A; Laux, V; Wehner, V; Will, DW Novel factor Xa inhibitors based on a benzoic acid scaffold and incorporating a neutral P1 ligand. Bioorg Med Chem Lett 14:2801-5 (2004) [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:
Homo sapiens (Human)
Description:
n/a
Residue:
488
Sequence:
MGRPLHLVLLSASLAGLLLLGESLFIRREQANNILARVTRANSFLEEMKKGHLERECMEETCSYEEAREVFEDSDKTNEFWNKYKDGDQCETSPCQNQGKCKDGLGEYTCTCLEGFEGKNCELFTRKLCSLDNGDCDQFCHEEQNSVVCSCARGYTLADNGKACIPTGPYPCGKQTLERRKRSVAQATSSSGEAPDSITWKPYDAADLDPTENPFDLLDFNQTQPERGDNNLTRIVGGQECKDGECPWQALLINEENEGFCGGTILSEFYILTAAHCLYQAKRFKVRVGDRNTEQEEGGEAVHEVEVVIKHNRFTKETYDFDIAVLRLKTPITFRMNVAPACLPERDWAESTLMTQKTGIVSGFGRTHEKGRQSTRLKMLEVPYVDRNSCKLSSSFIITQNMFCAGYDTKQEDACQGDSGGPHVTRFKDTYFVTGIVSWGEGCARKGKYGIYTKVTAFLKWIDRSMKTRGLPKAKSHAPEVITSSPLK
Inhibitor
Name:
BDBM13627
Synonyms:
3-Oxybenzamide 13 | tert-butyl N-(4-{2-[2-chloro-5-({[1-(pyridin-4-yl)piperidin-4-yl]methyl}carbamoyl)phenoxy]ethyl}phenyl)carbamate
Type:
Small organic molecule
Emp. Form.:
C31H37ClN4O4
Mol. Mass.:
565.103
SMILES:
CC(C)(C)OC(=O)Nc1ccc(CCOc2cc(ccc2Cl)C(=O)NCC2CCN(CC2)c2ccncc2)cc1