| Reaction Details |
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 | Report a problem with these data |
| Target | Glycine receptor subunit alpha-1/beta |
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| Ligand | BDBM50464255 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1780500 (CHEMBL4252017) |
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| EC50 | 300±n/a nM |
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| Citation |  Chakka, N; Andrews, KL; Berry, LM; Bregman, H; Gunaydin, H; Huang, L; Guzman-Perez, A; Plant, MH; Simard, JR; Gingras, J; DiMauro, EF Applications of parallel synthetic lead hopping and pharmacophore-based virtual screening in the discovery of efficient glycine receptor potentiators. Eur J Med Chem137:63-75 (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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| BDBM50464255 |
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| n/a |
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| Name | BDBM50464255 |
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| Synonyms: | CHEMBL4083687 |
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| Type | Small organic molecule |
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| Emp. Form. | C19H18N2O5S |
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| Mol. Mass. | 386.422 |
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| SMILES | [H][C@@]12CN(C[C@]1([H])c1ccccc1N(C)C2=O)S(=O)(=O)c1ccc2OCOc2c1 |r| |
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| Structure | 
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