Reaction Details Report a problem with these data
Target
Coagulation factor X
Ligand
BDBM31469
Substrate
BDBM31507
Meas. Tech.
Thrombin Inhibition Assay
Temperature
298.15±n/a K
IC50
5220±n/a nM
Comments
extracted
Citation
Kotian, PL; Krishnan, R; Rowland, S; El-Kattan, Y; Saini, SK; Upshaw, R; Bantia, S; Arnold, S; Babu, YS; Chand, P Design, parallel synthesis, and crystal structures of biphenyl antithrombotics as selective inhibitors of tissue factor FVIIa complex. Part 1: Exploration of S2 pocket pharmacophores. Bioorg Med Chem 17:3934-58 (2009) [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:
BDBM31469
Synonyms:
substituted biphenyl derivative, 36i
Type:
Small organic molecule
Emp. Form.:
C29H28N4O4
Mol. Mass.:
496.557
SMILES:
CC#Cc1ccc(c(c1)C(=O)Nc1ccc(cc1)C(N)=N)-c1ccc(cc1C(O)=O)C(=O)NCC(C)C