Reaction Details Report a problem with these data
Target
Sigma non-opioid intracellular receptor 1
Ligand
BDBM50010782
Substrate
n/a
Meas. Tech.
ChEBML_201720
IC50
5.2±n/a nM
Citation
 Scherz, MW; Fialeix, M; Fischer, JB; Reddy, NL; Server, AC; Sonders, MS; Tester, BC; Weber, E; Wong, ST; Keana, JF Synthesis and structure-activity relationships of N,N'-di-o-tolylguanidine analogues, high-affinity ligands for the haloperidol-sensitive sigma receptor. J Med Chem 33:2421-9 (1990) [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:
BDBM50010782
Synonyms:
CHEMBL553347 | N-Adamantan-2-yl-N'-(2-iodo-phenyl)-guanidine; hydrochloride
Type:
Small organic molecule
Emp. Form.:
C17H22IN3
Mol. Mass.:
395.2811
SMILES:
NC(Nc1ccccc1I)=NC1C2CC3CC(C2)CC1C3 |w:10.11,TLB:17:12:20:16.18.15,17:16:11.12.13:20,THB:15:14:11:16.17.18,15:16:11:14.13.20,TEB:10:11:14.13.20:16.17.18,10:11:20:16.18.15,10:11:18:14.20.15,(13.93,-.98,;13.93,-2.52,;15.28,-3.3,;16.62,-2.52,;16.62,-.98,;17.96,-.2,;19.3,-.98,;19.28,-2.52,;17.96,-3.3,;17.96,-4.84,;12.6,-3.3,;11.26,-2.52,;9.86,-1.94,;9.84,-.37,;10.89,.87,;9.55,.39,;9.55,-1.1,;8.36,-2.38,;10.87,-1.59,;12.29,-1.24,;12.29,.29,)|
Structure:
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