Reaction Details Report a problem with these data
Target
Coagulation factor X
Ligand
BDBM12595
Substrate
n/a
Meas. Tech.
ChEMBL_48661 (CHEMBL657276)
Ki
3±n/a nM
Citation
Choi-Sledeski, YM; Kearney, R; Poli, G; Pauls, H; Gardner, C; Gong, Y; Becker, M; Davis, R; Spada, A; Liang, G; Chu, V; Brown, K; Collussi, D; Leadley, R; Rebello, S; Moxey, P; Morgan, S; Bentley, R; Kasiewski, C; Maignan, S; Guilloteau, JP; Mikol, V Discovery of an orally efficacious inhibitor of coagulation factor Xa which incorporates a neutral P1 ligand. J Med Chem 46:681-4 (2003) [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:
BDBM12595
Synonyms:
4-[(6-CHLORO-1-BENZOTHIEN-2-YL)SULFONYL]-1-{[1-(2-HYDROXYETHYL)-1H-PYRROLO[3,2-C]PYRIDIN-2-YL]METHYL}PIPERAZIN-2-ONE | 4-[(6-chloro-1-benzothiophene-2-)sulfonyl]-1-{[1-(2-hydroxyethyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]methyl}piperazin-2-one | CHEMBL157813 | Ketopiperazine | RPR208944
Type:
Small organic molecule
Emp. Form.:
C22H21ClN4O4S2
Mol. Mass.:
505.01
SMILES:
OCCn1c(CN2CCN(CC2=O)S(=O)(=O)c2cc3ccc(Cl)cc3s2)cc2cnccc12