Reaction Details Report a problem with these data
Target
Sigma non-opioid intracellular receptor 1
Ligand
BDBM50099800
Substrate
n/a
Meas. Tech.
ChEMBL_202070 (CHEMBL811340)
Ki
28±n/a nM
Citation
 Huang, Y; Luedtke, RR; Freeman, RA; Wu, L; Mach, RH Synthesis and structure-activity relationships of naphthamides as dopamine D3 receptor ligands. J Med Chem 44:1815-26 (2001) [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:
BDBM50099800
Synonyms:
4-Bromo-1-methoxy-naphthalene-2-carboxylic acid (1-adamantan-2-yl-pyrrolidin-3-yl)-amide | CHEMBL52298
Type:
Small organic molecule
Emp. Form.:
C26H31BrN2O2
Mol. Mass.:
483.441
SMILES:
COc1c(cc(Br)c2ccccc12)C(=O)N[C@H]1CCN(C1)C1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2 |wU:26.29,24.33,22.25,16.17,wD:28.32,TLB:19:21:23:26.30.25,THB:27:28:23:26.30.25,27:26:23:21.28.29,(6.46,-4.73,;7.77,-5.5,;7.81,-7.04,;9.12,-7.81,;9.12,-9.35,;7.81,-10.12,;7.77,-11.66,;6.46,-9.35,;5.14,-10.12,;3.8,-9.35,;3.8,-7.81,;5.14,-7.04,;6.46,-7.81,;10.47,-7.04,;10.44,-5.5,;11.79,-7.81,;13.1,-7,;13.1,-5.5,;15.76,-5.5,;15.76,-7.04,;14.45,-7.77,;17.08,-7.81,;18.27,-6.52,;18.27,-5.05,;19.61,-4.57,;20.99,-5.14,;20.99,-6.68,;19.97,-7.94,;18.55,-7.39,;18.55,-5.79,;19.58,-7,)|
Structure:
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