Reaction Details Report a problem with these data
Target
Coagulation factor X
Ligand
BDBM50114532
Substrate
n/a
Meas. Tech.
ChEMBL_940469 (CHEMBL2329467)
Ki
20±n/a nM
Citation
 Schärfer, C; Schulz-Gasch, T; Ehrlich, HC; Guba, W; Rarey, M; Stahl, M Torsion angle preferences in druglike chemical space: a comprehensive guide. J Med Chem 56:2016-28 (2013) [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:
BDBM50114532
Synonyms:
(R)-2-{[(Biphenyl-4-carbonyl)-amino]-methyl}-3-(3-carbamimidoyl-phenyl)-propionic acid methyl ester | CHEMBL297371
Type:
Small organic molecule
Emp. Form.:
C25H25N3O3
Mol. Mass.:
415.4843
SMILES:
COC(=O)[C@@H](CNC(=O)c1ccc(cc1)-c1ccccc1)Cc1cccc(c1)C(N)=N
Structure:
Search PDB for entries with ligand similarity: