Reaction Details  Report a problem with these data
Target
Glycine receptor subunit alpha-1/beta
Ligand
BDBM50570339
Substrate
n/a
Meas. Tech.
ChEMBL_2112034 (CHEMBL4820884)
IC50
800±n/a nM
Citation
 Zlotos, DP; Abdelmalek, CM; Botros, LS; Banoub, MM; Mandour, YM; Breitinger, U; El Nady, A; Breitinger, HG; Sotriffer, C; Villmann, C; Jensen, AA; Holzgrabe, U C-2-Linked Dimeric Strychnine Analogues as Bivalent Ligands Targeting Glycine Receptors. J Nat Prod 84:382-394 (2021) [PubMed]  Article
Target
Name:
Glycine receptor subunit alpha-1/beta
Synonyms:
Glycine receptor (alpha-1/beta)
Type:
n/a
Mol. Mass.:
n/a
Description:
ASSAY_ID of ChEMBL is 2112032
Components:
This complex has 2 components.
Component 1
Name:
Glycine receptor subunit alpha-1
Synonyms:
GLRA1 | GLRA1_HUMAN | Glycine receptor 48 kDa subunit | Glycine receptor strychnine-binding subunit
Type:
Enzyme Catalytic Domain
Mol. Mass.:
52635.39
Organism:
Homo sapiens (Human)
Description:
P23415
Residue:
457
Sequence:
MYSFNTLRLYLWETIVFFSLAASKEAEAARSAPKPMSPSDFLDKLMGRTSGYDARIRPNFKGPPVNVSCNIFINSFGSIAETTMDYRVNIFLRQQWNDPRLAYNEYPDDSLDLDPSMLDSIWKPDLFFANEKGAHFHEITTDNKLLRISRNGNVLYSIRITLTLACPMDLKNFPMDVQTCIMQLESFGYTMNDLIFEWQEQGAVQVADGLTLPQFILKEEKDLRYCTKHYNTGKFTCIEARFHLERQMGYYLIQMYIPSLLIVILSWISFWINMDAAPARVGLGITTVLTMTTQSSGSRASLPKVSYVKAIDIWMAVCLLFVFSALLEYAAVNFVSRQHKELLRFRRKRRHHKSPMLNLFQEDEAGEGRFNFSAYGMGPACLQAKDGISVKGANNSNTTNPPPAPSKSPEEMRKLFIQRAKKIDKISRIGFPMAFLIFNMFYWIIYKIVRREDVHNQ
  
Component 2
Name:
Glycine receptor subunit beta
Synonyms:
GLRB | GLRB_HUMAN | Glycine receptor 58 kDa subunit | Glycine receptor alpha-3/beta | Glycine receptor subunit beta
Type:
PROTEIN
Mol. Mass.:
56135.64
Organism:
Homo sapiens (Human)
Description:
ChEMBL_117714
Residue:
497
Sequence:
MKFLLTTAFLILISLWVEEAYSKEKSSKKGKGKKKQYLCPSQQSAEDLARVPANSTSNILNRLLVSYDPRIRPNFKGIPVDVVVNIFINSFGSIQETTMDYRVNIFLRQKWNDPRLKLPSDFRGSDALTVDPTMYKCLWKPDLFFANEKSANFHDVTQENILLFIFRDGDVLVSMRLSITLSCPLDLTLFPMDTQRCKMQLESFGYTTDDLRFIWQSGDPVQLEKIALPQFDIKKEDIEYGNCTKYYKGTGYYTCVEVIFTLRRQVGFYMMGVYAPTLLIVVLSWLSFWINPDASAARVPLGIFSVLSLASECTTLAAELPKVSYVKALDVWLIACLLFGFASLVEYAVVQVMLNNPKRVEAEKARIAKAEQADGKGGNVAKKNTVNGTGTPVHISTLQVGETRCKKVCTSKSDLRSNDFSIVGSLPRDFELSNYDCYGKPIEVNNGLGKSQAKNNKKPPPAKPVIPTAAKRIDLYARALFPFCFLFFNVIYWSIYL
  
Inhibitor
Name:
BDBM50570339
Synonyms:
CHEMBL4850957
Type:
Small organic molecule
Emp. Form.:
C54H64N6O6
Mol. Mass.:
893.1226
SMILES:
[H][C@]12C[C@@]3([H])C4=CCO[C@@]5([H])CC(=O)N6c7ccc(NC(=O)CCCCCCCCCCC(=O)Nc8ccc9N%10C(=O)C[C@]%11([H])OCC=C%12CN%13CC[C@@]%14(c9c8)[C@]%13([H])C[C@]%12([H])[C@]%11([H])[C@]%10%14[H])cc7[C@@]1(CCN2C4)[C@]6([H])[C@@]35[H] |r,c:5,t:47|
Structure:
Search PDB for entries with ligand similarity: