| Reaction Details |
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 | Report a problem with these data |
| Target | Glycine receptor subunit alpha-1/beta |
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| Ligand | BDBM50459893 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1767499 (CHEMBL4219611) |
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| IC50 | 30000±n/a nM |
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| Citation |  Sparling, BA; DiMauro, EF Progress in the discovery of small molecule modulators of the Cys-loop superfamily receptors. Bioorg Med Chem Lett27:3207-3218 (2017) [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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| BDBM50459893 |
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| n/a |
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| Name | BDBM50459893 |
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| Synonyms: | Gelsemine |
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| Type | Small organic molecule |
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| Emp. Form. | C20H22N2O2 |
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| Mol. Mass. | 322.4009 |
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| SMILES | [H][C@]12CO[C@]3([H])C[C@@]1([H])[C@@]1(CN(C)[C@@]2([H])[C@]1([H])[C@@]31C(=O)Nc2ccccc12)C=C |r,TLB:17:15:7.1:11.10,18:17:9:1.13,11:13:9:17.4.6,10:9:1.13:17.4.6,12:11:15:7.1,26:17:9:1.13,THB:2:1:15:11.10,2:1:9:17.4.6,3:4:9:1.13,6:7:15:11.10,27:9:1.13:17.4.6| |
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| Structure | 
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