Reaction Details Report a problem with these data
Target
Sigma non-opioid intracellular receptor 1
Ligand
BDBM50579346
Substrate
n/a
Meas. Tech.
ChEMBL_2134947 (CHEMBL4844557)
Ki
3500±n/a nM
Citation
 Zajdel, P; Grychowska, K; Mogilski, S; Kurczab, R; Sata?a, G; Bugno, R; Kos, T; Go??biowska, J; Malikowska-Racia, N; Nikiforuk, A; Chaumont-Dubel, S; Bantreil, X; Paw?owski, M; Martinez, J; Subra, G; Lamaty, F; Marin, P; Bojarski, AJ; Popik, P Structure-Based Design and Optimization of FPPQ, a Dual-Acting 5-HT J Med Chem 64:13279-13298 (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:
BDBM50579346
Synonyms:
CHEMBL4867565
Type:
Small organic molecule
Emp. Form.:
C21H19FN4O2S
Mol. Mass.:
410.465
SMILES:
Fc1cccc(c1)S(=O)(=O)n1ccc2c(nc3ccccc3c12)N1CCNCC1
Structure:
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