Reaction Details Report a problem with these data
Target
Sigma intracellular receptor 2
Ligand
BDBM50521528
Substrate
n/a
Meas. Tech.
ChEMBL_1884536 (CHEMBL4386118)
Ki
16±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:
BDBM50521528
Synonyms:
CHEMBL4577975
Type:
Small organic molecule
Emp. Form.:
C22H31NO
Mol. Mass.:
325.4876
SMILES:
CN(CC1CCCCC1)[C@H]1CC[C@@]2(CC1)OC=Cc1ccccc21 |r,wU:12.16,wD:9.9,c:18,(46.76,-9.4,;46.76,-7.86,;45.43,-7.09,;44.09,-7.86,;42.76,-7.09,;41.42,-7.86,;41.42,-9.4,;42.75,-10.17,;44.09,-9.41,;48.1,-7.09,;49.44,-7.86,;50.78,-7.09,;50.77,-5.54,;49.43,-4.78,;48.1,-5.54,;50.77,-4,;52.11,-3.23,;53.43,-4,;53.43,-5.54,;54.75,-6.31,;54.75,-7.84,;53.42,-8.6,;52.13,-7.84,;52.11,-6.31,)|
Structure:
Search PDB for entries with ligand similarity: