Reaction Details Report a problem with these data
Target
Coagulation factor X
Ligand
BDBM50112488
Substrate
n/a
Meas. Tech.
ChEBML_49302
Ki
0.270000±n/a nM
Citation
 Wu, S; Guilford, WJ; Chou, YL; Griedel, BD; Liang, A; Sakata, S; Shaw, KJ; Trinh, L; Xu, W; Zhao, Z; Morrissey, MM Design and synthesis of aminophenol-based factor Xa inhibitors. Bioorg Med Chem Lett 12:1307-10 (2002) [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:
BDBM50112488
Synonyms:
3-(3-{4-[1-(1-Imino-ethyl)-piperidin-4-yloxy]-3-nitro-phenylamino}-propenyl)-benzamidine | CHEMBL24630
Type:
Small organic molecule
Emp. Form.:
C23H28N6O3
Mol. Mass.:
436.5068
SMILES:
CC([NH-])=[N+]1CCC(CC1)Oc1ccc(NC\C=C\c2cccc(c2)C(N)=N)cc1[N+]([O-])=O |(-5.78,-2.46,;-4.43,-3.23,;-4.45,-4.77,;-3.1,-2.46,;-3.1,-.92,;-1.77,-.16,;-.44,-.94,;-.44,-2.47,;-1.77,-3.24,;.91,-.17,;2.24,-.94,;2.24,-2.48,;3.57,-3.25,;4.91,-2.48,;6.24,-3.25,;6.24,-4.79,;7.58,-5.56,;7.57,-7.1,;8.9,-7.87,;8.91,-9.41,;10.25,-10.18,;11.58,-9.4,;11.57,-7.85,;10.23,-7.09,;12.9,-7.07,;12.89,-5.53,;14.24,-7.82,;4.91,-.94,;3.57,-.17,;3.55,1.37,;4.9,2.14,;2.22,2.14,)|
Structure:
Search PDB for entries with ligand similarity: