Reaction Details Report a problem with these data
Target
Coagulation factor X
Ligand
BDBM50112500
Substrate
n/a
Meas. Tech.
ChEBML_49302
Ki
0.170000±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:
BDBM50112500
Synonyms:
3'-({4-[1-(1-Imino-ethyl)-piperidin-4-yloxy]-3-nitro-phenylamino}-methyl)-biphenyl-3-carboxamidine | CHEMBL25461
Type:
Small organic molecule
Emp. Form.:
C27H30N6O3
Mol. Mass.:
486.5655
SMILES:
CC([NH-])=[N+]1CCC(CC1)Oc1ccc(NCc2cccc(c2)-c2cccc(c2)C(N)=N)cc1[N+]([O-])=O |(-4.64,-1.92,;-3.23,-2.6,;-3.08,-4.13,;-2,-1.75,;-2.14,-.22,;-.91,.63,;.5,-.06,;.64,-1.56,;-.61,-2.43,;1.73,.79,;3.12,.12,;3.29,-1.4,;4.68,-2.08,;5.93,-1.21,;7.32,-1.89,;7.48,-3.42,;8.87,-4.09,;10.1,-3.21,;11.49,-3.88,;11.66,-5.42,;10.42,-6.28,;9.03,-5.61,;10.59,-7.79,;9.35,-8.66,;9.51,-10.19,;10.9,-10.86,;12.14,-10,;11.98,-8.47,;13.52,-10.71,;14.79,-9.91,;13.61,-12.25,;5.76,.32,;4.36,.98,;4.2,2.52,;5.43,3.37,;2.81,3.18,)|
Structure:
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