Reaction Details Report a problem with these data
Target
Sigma intracellular receptor 2
Ligand
BDBM50521511
Substrate
n/a
Meas. Tech.
ChEMBL_1884536 (CHEMBL4386118)
Ki
7.0±n/a nM
Citation
 Kronenberg, E; Weber, F; Brune, S; Schepmann, D; Almansa, C; Friedland, K; Laurini, E; Pricl, S; Wünsch, B Synthesis and Structure-Affinity Relationships of Spirocyclic Benzopyrans with Exocyclic Amino Moiety. J Med Chem 62:4204-4217 (2019) [PubMed]  Article 
Target
Name:
Sigma intracellular receptor 2
Synonyms:
MAC30 | Meningioma-associated protein 30 | S2R | SGMR2_HUMAN | Sigma-2 receptor | Sigma2 receptor | TMEM97 | Transmembrane protein 97
Type:
Protein
Mol. Mass.:
20857.20
Organism:
Homo sapiens (Human)
Description:
Q5BJF2
Residue:
176
Sequence:
MGAPATRRCVEWLLGLYFLSHIPITLFMDLQAVLPRELYPVEFRNLLKWYAKEFKDPLLQEPPAWFKSFLFCELVFQLPFFPIATYAFLKGSCKWIRTPAIIYSVHTMTTLIPILSTFLFEDFSKASGFKGQRPETLHERLTLVSVYAPYLLIPFILLIFMLRSPYYKYEEKRKKK
  
Inhibitor
Name:
BDBM50521511
Synonyms:
CHEMBL4562511
Type:
Small organic molecule
Emp. Form.:
C21H29NO
Mol. Mass.:
311.4611
SMILES:
C(N[C@H]1CC[C@@]2(CC1)OC=Cc1ccccc21)C1CCCCC1 |r,wU:5.8,wD:2.1,c:10,(8.43,-8.03,;9.76,-8.8,;11.1,-8.03,;12.44,-8.8,;13.79,-8.02,;13.78,-6.48,;12.44,-5.71,;11.1,-6.48,;13.78,-4.94,;15.11,-4.16,;16.43,-4.94,;16.43,-6.48,;17.75,-7.25,;17.75,-8.78,;16.42,-9.54,;15.13,-8.77,;15.11,-7.24,;7.09,-8.8,;5.76,-8.03,;4.43,-8.79,;4.42,-10.34,;5.76,-11.11,;7.09,-10.35,)|
Structure:
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