| Reaction Details |
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 | Report a problem with these data |
| Target | Neuronal acetylcholine receptor; alpha9/alpha10 |
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| Ligand | BDBM50606645 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_2260838 (CHEMBL5215849) |
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| IC50 | 0.390000±n/a nM |
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| Citation |  Gajewiak, J; Christensen, SB; Dowell, C; Hararah, F; Fisher, F; Huynh, PN; Olivera, BM; McIntosh, JM Selective Penicillamine Substitution Enables Development of a Potent Analgesic Peptide that Acts through a Non-Opioid-Based Mechanism. J Med Chem64:9271-9278 (2021) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Neuronal acetylcholine receptor; alpha9/alpha10 |
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| Name: | Neuronal acetylcholine receptor; alpha9/alpha10 |
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| Synonyms: | Neuronal acetylcholine receptor protein alpha-10/alpha-9 subunit | Neuronal acetylcholine receptor subunit alpha-10/alpha-9 |
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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 2150170 |
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| Components: | This complex has 2 components. |
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| Component 1 |
| Name: | Neuronal acetylcholine receptor subunit alpha-9 |
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| Synonyms: | ACHA9_HUMAN | CHRNA9 | NACHR alpha-9 | NACHRA9 | Neuronal acetylcholine receptor protein alpha-9 subunit | Neuronal acetylcholine receptor subunit alpha-9 | Nicotinic acetylcholine receptor subunit alpha-9 |
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| Type: | PROTEIN |
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| Mol. Mass.: | 54806.10 |
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| Organism: | Homo sapiens (Human) |
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| Description: | ChEMBL_306102 |
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| Residue: | 479 |
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| Sequence: | MNWSHSCISFCWIYFAASRLRAAETADGKYAQKLFNDLFEDYSNALRPVEDTDKVLNVTL
QITLSQIKDMDERNQILTAYLWIRQIWHDAYLTWDRDQYDGLDSIRIPSDLVWRPDIVLY
NKADDESSEPVNTNVVLRYDGLITWDAPAITKSSCVVDVTYFPFDNQQCNLTFGSWTYNG
NQVDIFNALDSGDLSDFIEDVEWEVHGMPAVKNVISYGCCSEPYPDVTFTLLLKRRSSFY
IVNLLIPCVLISFLAPLSFYLPAASGEKVSLGVTILLAMTVFQLMVAEIMPASENVPLIG
KYYIATMALITASTALTIMVMNIHFCGAEARPVPHWARVVILKYMSRVLFVYDVGESCLS
PHHSRERDHLTKVYSKLPESNLKAARNKDLSRKKDMNKRLKNDLGCQGKNPQEAESYCAQ
YKVLTRNIEYIAKCLKDHKATNSKGSEWKKVAKVIDRFFMWIFFIMVFVMTILIIARAD
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| Component 2 |
| Name: | Neuronal acetylcholine receptor subunit alpha-10 |
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| Synonyms: | ACH10_HUMAN | CHRNA10 | NACHRA10 | Neuronal acetylcholine receptor protein alpha-10 subunit |
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| Type: | PROTEIN |
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| Mol. Mass.: | 49714.45 |
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| Organism: | Homo sapiens (Human) |
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| Description: | EBI_12740 |
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| Residue: | 450 |
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| Sequence: | MGLRSHHLSLGLLLLFLLPAECLGAEGRLALKLFRDLFANYTSALRPVADTDQTLNVTLE
VTLSQIIDMDERNQVLTLYLWIRQEWTDAYLRWDPNAYGGLDAIRIPSSLVWRPDIVLYN
KADAQPPGSASTNVVLRHDGAVRWDAPAITRSSCRVDVAAFPFDAQHCGLTFGSWTHGGH
QLDVRPRGAAASLADFVENVEWRVLGMPARRRVLTYGCCSEPYPDVTFTLLLRRRAAAYV
CNLLLPCVLISLLAPLAFHLPADSGEKVSLGVTVLLALTVFQLLLAESMPPAESVPLIGK
YYMATMTMVTFSTALTILIMNLHYCGPSVRPVPAWARALLLGHLARGLCVRERGEPCGQS
RPPELSPSPQSPEGGAGPPAGPCHEPRCLCRQEALLHHVATIANTFRSHRAAQRCHEDWK
RLARVMDRFFLAIFFSMALVMSLLVLVQAL
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| BDBM50606645 |
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| n/a |
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| Name | BDBM50606645 |
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| Synonyms: | CHEMBL5220455 |
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| Type | Small organic molecule |
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| Emp. Form. | C64H93IN20O20S4 |
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| Mol. Mass. | 1717.71 |
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| SMILES | [H][C@@]12CCCN1C(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@H]1NC(=O)[C@@H](CSSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC2=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2ccc(O)c(I)c2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CSSC1(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O)NC(=O)CN)[C@@H](C)O |r| |
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| Structure | 
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