Reaction Details  Report a problem with these data
Target
Sigma non-opioid intracellular receptor 1
Ligand
BDBM50541996
Substrate
n/a
Meas. Tech.
ChEMBL_1988757 (CHEMBL4622304)
Ki
1480±n/a nM
Citation
 Jung, YH; Yu, J; Wen, Z; Salmaso, V; Karcz, TP; Phung, NB; Chen, Z; Duca, S; Bennett, JM; Dudas, S; Salvemini, D; Gao, ZG; Cook, DN; Jacobson, KA Exploration of Alternative Scaffolds for P2Y J Med Chem 63:9563-9589 (2020) [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:
BDBM50541996
Synonyms:
CHEMBL4633982
Type:
Small organic molecule
Emp. Form.:
C27H23F3N4O2
Mol. Mass.:
492.4923
SMILES:
OC(=O)c1cc(cc(c1)-c1ccc(cc1)C1CCNCC1)-c1cn(nn1)-c1ccc(cc1)C(F)(F)F
Structure:
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