Reaction Details Report a problem with these data
Target
Sigma non-opioid intracellular receptor 1
Ligand
BDBM50566384
Substrate
n/a
Meas. Tech.
ChEMBL_2100294 (CHEMBL4808690)
Ki
2330±n/a nM
Citation
 Jung, YH; Salmaso, V; Wen, Z; Bennett, JM; Phung, NB; Lieberman, DI; Gopinatth, V; Randle, JCR; Chen, Z; Salvemini, D; Karcz, TP; Cook, DN; Jacobson, KA Structure-Activity Relationship of Heterocyclic P2Y J Med Chem 64:5099-5122 (2021) [PubMed]  Article 
Target
Name:
Sigma non-opioid intracellular receptor 1
Synonyms:
Aging-associated gene 8 protein | OPRS1 | SGMR1_HUMAN | SIG-1R | SIGMAR1 | SR-BP | SR31747-binding protein | SRBP | Sigma 1-type opioid receptor | Sigma opioid receptor | Sigma1R | hSigmaR1
Type:
Enzyme Catalytic Domain
Mol. Mass.:
25124.85
Organism:
Homo sapiens (Human)
Description:
Q99720
Residue:
223
Sequence:
MQWAVGRRWAWAALLLAVAAVLTQVVWLWLGTQSFVFQREEIAQLARQYAGLDHELAFSRLIVELRRLHPGHVLPDEELQWVFVNAGGWMGAMCLLHASLSEYVLLFGTALGSRGHSGRYWAEISDTIISGTFHQWREGTTKSEVFYPGETVVHGPGEATAVEWGPNTWMVEYGRGVIPSTLAFALADTVFSTQDFLTLFYTLRSYARGLRLELTTYLFGQDP
  
Inhibitor
Name:
BDBM50566384
Synonyms:
CHEMBL4872692
Type:
Small organic molecule
Emp. Form.:
C28H24F3N5O3
Mol. Mass.:
535.5171
SMILES:
OC(=O)c1cc(cc(c1)-n1cc(nn1)-c1ccc(cc1)C(F)(F)F)-c1ccc(NC(=O)C2CCNCC2)cc1
Structure:
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