Reaction Details |
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Target | Nicotinic acetylcholine receptor alpha9/alpha10 |
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Ligand | BDBM50606635 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_2260837 (CHEMBL5215848) |
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IC50 | 1.2±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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Nicotinic acetylcholine receptor alpha9/alpha10 |
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Name: | Nicotinic acetylcholine receptor alpha9/alpha10 |
Synonyms: | Neuronal acetylcholine receptor subunit alpha-10/alpha-9 |
Type: | n/a |
Mol. Mass.: | n/a |
Description: | ASSAY_ID of ChEMBL is 2193071 |
Components: | This complex has 2 components. |
Component 1 |
Name: | Neuronal acetylcholine receptor subunit alpha-9 |
Synonyms: | ACHA9_RAT | Acra9 | Cholinergic, Nicotinic Muscle | Chrna9 | NACHR alpha 9 | Neuronal acetylcholine receptor subunit alpha-9 | Nicotinic acetylcholine receptor subunit alpha 9 |
Type: | Enzyme Catalytic Domain |
Mol. Mass.: | 54522.69 |
Organism: | RAT |
Description: | Cholinergic, Nicotinic Muscle 0 RAT::P43144 |
Residue: | 479 |
Sequence: | MNRPHSCLSFCWMYFAASGIRAVETANGKYAQKLFSDLFEDYSSALRPVEDTDAVLNVTL
QVTLSQIKDMDERNQILTAYLWIRQTWHDAYLTWDRDQYDRLDSIRIPSDLVWRPDIVLY
NKADDESSEPVNTNVVLRYDGLITWDSPAITKSSCVVDVTYFPFDSQQCNLTFGSWTYNG
NQVDIFNALDSGDLSDFIEDVEWEVHGMPAVKNVISYGCCSEPYPDVTFTLLLKRRSSFY
IVNLLIPCVLISFLAPLSFYLPAASGEKVSLGVTILLAMTVFQLMVAEIMPASENVPLIG
KYYIATMALITASTALTIMVMNIHFCGAEARPVPHWAKVVILKYMSRILFVYDVGESCLS
PRHSQEPEQVTKVYSKLPESNLKTSRNKDLSRKKEVRKLLKNDLGYQGGIPQNTDSYCAR
YEALTKNIEYIAKCLKDHKATNSKGSEWKKVAKVIDRFFMWIFFAMVFVMTVLIIARAD
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Component 2 |
Name: | Neuronal acetylcholine receptor subunit alpha-10 |
Synonyms: | ACH10_RAT | Chrna10 | Neuronal acetylcholine receptor protein alpha-10 subunit | Nicotinic acetylcholine receptor alpha9/alpha10 |
Type: | PROTEIN |
Mol. Mass.: | 49830.54 |
Organism: | Rattus norvegicus |
Description: | ChEMBL_143222 |
Residue: | 447 |
Sequence: | MGTRSHYLDLGFLLLLFLPAECLGAEGRLAHKLFRDLFANYTSALRPVADTDQTLNVTLE
VTLSQIIDMDERNQVLTLYLWIRQEWTDAYLHWDPKAYGDLDAIRIPSRLVWRPDIVLYN
KADTQPPASASTNVVVRHDGAVRWDAPAITRSSCRVDVSAFPFDAQRCGLTFGSWTHGGH
QLDVRPRGTSASLADFVENVEWRVLGMPARRRVLTYGCCSEPYPDVTFTLLLRRRAAAYV
CNLLLPCVFISLLAPLAFHLPADSGEKVSLGVTVLLALTVFQLILAESMPPAESVPLIGK
YYMATMTMVTFSTALTILIMNLHYCGPNAHPVPAWARVLLLGHLAKGLCVRERGEPCGQS
KPLESAPSLQPPPASPAGPCHEPRCLCHQEALLHHIASIASTFRSHRAAQRRHEDWKRLA
RVMDRFFLGIFFCMALVMSLIVLVQAL
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BDBM50606635 |
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n/a |
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Name | BDBM50606635 |
Synonyms: | CHEMBL5220820 |
Type | Small organic molecule |
Emp. Form. | C61H96N24O19S2 |
Mol. Mass. | 1533.694 |
SMILES | [H][C@@]12CCCN1C(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H]1C\C=C\C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](CSSC[C@H](NC(=O)CN)C(=O)N1)NC(=O)[C@H](CCCNC(N)=N)NC2=O)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r,t:25| |
Structure |
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