| Reaction Details |
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 | Report a problem with these data |
| Target | Neuronal acetylcholine receptor subunit alpha-2/beta-4 |
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| Ligand | BDBM50606633 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_2260841 (CHEMBL5215852) |
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| IC50 | >10000±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 subunit alpha-2/beta-4 |
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| Name: | Neuronal acetylcholine receptor subunit alpha-2/beta-4 |
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| Synonyms: | Neuronal acetylcholine receptor Alpha-2/Beta-4 | Neuronal acetylcholine receptor protein alpha-2/beta-4 subunit | Neuronal acetylcholine receptor; alpha2/beta4 | nAChR subtypes alpha2 beta4 |
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| Type: | Protein |
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| Mol. Mass.: | n/a |
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| Description: | n/a |
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| Components: | This complex has 2 components. |
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| Component 1 |
| Name: | Neuronal acetylcholine receptor subunit alpha-2 |
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| Synonyms: | ACHA2_RAT | Acra2 | Cholinergic, Nicotinic Alpha2Beta2 | Cholinergic, Nicotinic Alpha2Beta4 | Chrna2 |
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| Type: | Enzyme |
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| Mol. Mass.: | 58597.25 |
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| Organism: | Rattus norvegicus (Rat) |
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| Description: | P12389 |
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| Residue: | 511 |
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| Sequence: | MTLSHSALQFWTHLYLWCLLLVPAVLTQQGSHTHAEDRLFKHLFGGYNRWARPVPNTSDV
VIVRFGLSIAQLIDVDEKNQMMTTNVWLKQEWNDYKLRWDPAEFGNVTSLRVPSEMIWIP
DIVLYNNADGEFAVTHMTKAHLFFTGTVHWVPPAIYKSSCSIDVTFFPFDQQNCKMKFGS
WTYDKAKIDLEQMERTVDLKDYWESGEWAIINATGTYNSKKYDCCAEIYPDVTYYFVIRR
LPLFYTINLIIPCLLISCLTVLVFYLPSECGEKITLCISVLLSLTVFLLLITEIIPSTSL
VIPLIGEYLLFTMIFVTLSIVITVFVLNVHHRSPSTHNMPNWVRVALLGRVPRWLMMNRP
LPPMELHGSPDLKLSPSYHWLETNMDAGEREETEEEEEEEDENICVCAGLPDSSMGVLYG
HGGLHLRAMEPETKTPSQASEILLSPQIQKALEGVHYIADRLRSEDADSSVKEDWKYVAM
VVDRIFLWLFIIVCFLGTIGLFLPPFLAGMI
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| Component 2 |
| Name: | Neuronal acetylcholine receptor subunit beta-4 |
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| Synonyms: | ACHB4_RAT | Acrb4 | Chrnb4 | N-alpha 2 | Neuronal acetylcholine receptor non-alpha-2
chain | Neuronal acetylcholine receptor protein beta-4 subunit |
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| Type: | Enzyme |
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| Mol. Mass.: | 55863.89 |
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| Organism: | Rattus norvegicus (Rat) |
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| Description: | P12392 |
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| Residue: | 495 |
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| Sequence: | MRGTPLLLVSLFSLLQDGDCRLANAEEKLMDDLLNKTRYNNLIRPATSSSQLISIRLELS
LSQLISVNEREQIMTTSIWLKQEWTDYRLAWNSSCYEGVNILRIPAKRVWLPDIVLYNNA
DGTYEVSVYTNVIVRSNGSIQWLPPAIYKSACKIEVKHFPFDQQNCTLKFRSWTYDHTEI
DMVLKSPTAIMDDFTPSGEWDIVALPGRRTVNPQDPSYVDVTYDFIIKRKPLFYTINLII
PCVLITSLAILVFYLPSDCGEKMTLCISVLLALTFFLLLISKIVPPTSLDIPLIGKYLLF
TMVLVTFSIVTTVCVLNVHHRSPSTHTMASWVKECFLHKLPTFLFMKRPGLEVSLVRVPH
PSQLHLATADTAATSALGPTSPSNLYGSSMYFVNPVPAAPKSAVSSHTAGLPRDARLRSS
GRFREDLQEALEGVSFIAQHLESDDRDQSVIEDWKFVAMVVDRLFLWVFVFVCILGTMGL
FLPPLFQIHAPSKDS
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| BDBM50606633 |
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| n/a |
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| Name | BDBM50606633 |
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| Synonyms: | CHEMBL5219936 |
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| Type | Small organic molecule |
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| Emp. Form. | C71H109IN24O20S4 |
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| Mol. Mass. | 1873.938 |
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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](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| |
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| Structure | 
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