Reaction Details Report a problem with these data
Target
Coagulation factor X
Ligand
BDBM50590085
Substrate
n/a
Meas. Tech.
ChEMBL_2194967 (CHEMBL5107327)
Ki
0.500000±n/a nM
Citation
 Fernández-Bachiller, MI; Hwang, S; Schembri, ME; Lindemann, P; Guberman, M; Herziger, S; Specker, E; Matter, H; Will, DW; Czech, J; Wagner, M; Bauer, A; Schreuder, H; Ritter, K; Urmann, M; Wehner, V; Sun, H; Nazaré, M Probing Factor Xa Protein-Ligand Interactions: Accurate Free Energy Calculations and Experimental Validations of Two Series of High-Affinity Ligands. J Med Chem 65:13013-13028 (2022) [PubMed] 
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:
BDBM50590085
Synonyms:
CHEMBL5187102
Type:
Small organic molecule
Emp. Form.:
C24H26ClN5O2S
Mol. Mass.:
484.014
SMILES:
CC(C)N1CCC(CC1)NC(=O)c1nc2ccccc2n1Cc1cc(on1)-c1ccc(Cl)s1
Structure:
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