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Target
Nicotinic acetylcholine receptor alpha9/alpha10
Ligand
BDBM50606633
Substrate
n/a
Meas. Tech.
ChEMBL_2260837 (CHEMBL5215848)
IC50
0.390000±n/a nM
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 Chem 64:9271-9278 (2021) [PubMed] 
Target
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:
MNRPHSCLSFCWMYFAASGIRAVETANGKYAQKLFSDLFEDYSSALRPVEDTDAVLNVTLQVTLSQIKDMDERNQILTAYLWIRQTWHDAYLTWDRDQYDRLDSIRIPSDLVWRPDIVLYNKADDESSEPVNTNVVLRYDGLITWDSPAITKSSCVVDVTYFPFDSQQCNLTFGSWTYNGNQVDIFNALDSGDLSDFIEDVEWEVHGMPAVKNVISYGCCSEPYPDVTFTLLLKRRSSFYIVNLLIPCVLISFLAPLSFYLPAASGEKVSLGVTILLAMTVFQLMVAEIMPASENVPLIGKYYIATMALITASTALTIMVMNIHFCGAEARPVPHWAKVVILKYMSRILFVYDVGESCLSPRHSQEPEQVTKVYSKLPESNLKTSRNKDLSRKKEVRKLLKNDLGYQGGIPQNTDSYCARYEALTKNIEYIAKCLKDHKATNSKGSEWKKVAKVIDRFFMWIFFAMVFVMTVLIIARAD
  
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:
MGTRSHYLDLGFLLLLFLPAECLGAEGRLAHKLFRDLFANYTSALRPVADTDQTLNVTLEVTLSQIIDMDERNQVLTLYLWIRQEWTDAYLHWDPKAYGDLDAIRIPSRLVWRPDIVLYNKADTQPPASASTNVVVRHDGAVRWDAPAITRSSCRVDVSAFPFDAQRCGLTFGSWTHGGHQLDVRPRGTSASLADFVENVEWRVLGMPARRRVLTYGCCSEPYPDVTFTLLLRRRAAAYVCNLLLPCVFISLLAPLAFHLPADSGEKVSLGVTVLLALTVFQLILAESMPPAESVPLIGKYYMATMTMVTFSTALTILIMNLHYCGPNAHPVPAWARVLLLGHLAKGLCVRERGEPCGQSKPLESAPSLQPPPASPAGPCHEPRCLCHQEALLHHIASIASTFRSHRAAQRRHEDWKRLARVMDRFFLGIFFCMALVMSLIVLVQAL
  
Inhibitor
Name:
BDBM50606633
Synonyms:
CHEMBL5219936
Type:
Small organic molecule
Emp. Form.:
C71H109IN24O20S4
Mol. Mass.:
1873.938
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](CCCN)C(=O)N[C@@H](CSSC1(C)C)C(=O)N[C@H](CC(=O)N[C@@H](CCCNC(N)=N)C(O)=O)Cc1ccc(O)cc1)NC(=O)CN)[C@@H](C)O |r|
Structure:
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