| Reaction Details |
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 | Report a problem with these data |
| Target | Glycine receptor subunit alpha-1/beta |
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| Ligand | BDBM50570337 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_2112034 (CHEMBL4820884) |
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| IC50 | 1300±n/a nM |
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| 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 Prod84:382-394 (2021) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Glycine receptor subunit alpha-1/beta |
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| Name: | Glycine receptor subunit alpha-1/beta |
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| Synonyms: | Glycine receptor (alpha-1/beta) |
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| Type: | n/a |
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| Mol. Mass.: | n/a |
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| Description: | ASSAY_ID of ChEMBL is 2112032 |
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| Components: | This complex has 2 components. |
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| Component 1 |
| Name: | Glycine receptor subunit alpha-1 |
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| Synonyms: | GLRA1 | GLRA1_HUMAN | Glycine receptor 48 kDa subunit | Glycine receptor strychnine-binding subunit |
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| Type: | Enzyme Catalytic Domain |
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| Mol. Mass.: | 52635.39 |
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| Organism: | Homo sapiens (Human) |
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| Description: | P23415 |
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| Residue: | 457 |
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| Sequence: | MYSFNTLRLYLWETIVFFSLAASKEAEAARSAPKPMSPSDFLDKLMGRTSGYDARIRPNF
KGPPVNVSCNIFINSFGSIAETTMDYRVNIFLRQQWNDPRLAYNEYPDDSLDLDPSMLDS
IWKPDLFFANEKGAHFHEITTDNKLLRISRNGNVLYSIRITLTLACPMDLKNFPMDVQTC
IMQLESFGYTMNDLIFEWQEQGAVQVADGLTLPQFILKEEKDLRYCTKHYNTGKFTCIEA
RFHLERQMGYYLIQMYIPSLLIVILSWISFWINMDAAPARVGLGITTVLTMTTQSSGSRA
SLPKVSYVKAIDIWMAVCLLFVFSALLEYAAVNFVSRQHKELLRFRRKRRHHKSPMLNLF
QEDEAGEGRFNFSAYGMGPACLQAKDGISVKGANNSNTTNPPPAPSKSPEEMRKLFIQRA
KKIDKISRIGFPMAFLIFNMFYWIIYKIVRREDVHNQ
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| Component 2 |
| Name: | Glycine receptor subunit beta |
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| Synonyms: | GLRB | GLRB_HUMAN | Glycine receptor 58 kDa subunit | Glycine receptor alpha-3/beta | Glycine receptor subunit beta |
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| Type: | PROTEIN |
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| Mol. Mass.: | 56135.64 |
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| Organism: | Homo sapiens (Human) |
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| Description: | ChEMBL_117714 |
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| Residue: | 497 |
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| Sequence: | MKFLLTTAFLILISLWVEEAYSKEKSSKKGKGKKKQYLCPSQQSAEDLARVPANSTSNIL
NRLLVSYDPRIRPNFKGIPVDVVVNIFINSFGSIQETTMDYRVNIFLRQKWNDPRLKLPS
DFRGSDALTVDPTMYKCLWKPDLFFANEKSANFHDVTQENILLFIFRDGDVLVSMRLSIT
LSCPLDLTLFPMDTQRCKMQLESFGYTTDDLRFIWQSGDPVQLEKIALPQFDIKKEDIEY
GNCTKYYKGTGYYTCVEVIFTLRRQVGFYMMGVYAPTLLIVVLSWLSFWINPDASAARVP
LGIFSVLSLASECTTLAAELPKVSYVKALDVWLIACLLFGFASLVEYAVVQVMLNNPKRV
EAEKARIAKAEQADGKGGNVAKKNTVNGTGTPVHISTLQVGETRCKKVCTSKSDLRSNDF
SIVGSLPRDFELSNYDCYGKPIEVNNGLGKSQAKNNKKPPPAKPVIPTAAKRIDLYARAL
FPFCFLFFNVIYWSIYL
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| BDBM50570337 |
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| n/a |
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| Name | BDBM50570337 |
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| Synonyms: | CHEMBL4860026 |
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| Type | Small organic molecule |
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| Emp. Form. | C50H56N6O6 |
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| Mol. Mass. | 837.0162 |
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| SMILES | [H][C@]12C[C@@]3([H])C4=CCO[C@@]5([H])CC(=O)N6c7ccc(NC(=O)CCCCCCC(=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:43| |
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| Structure | 
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