Reaction Details |
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Target | Neuronal acetylcholine receptor subunit alpha-2/beta-2 |
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Ligand | BDBM50520480 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_1880467 (CHEMBL4381861) |
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IC50 | 9120±n/a nM |
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Citation | Xu, P; Kaas, Q; Wu, Y; Zhu, X; Li, X; Harvey, PJ; Zhangsun, D; Craik, DJ; Luo, S Structure and Activity Studies of Disulfide-Deficient Analogues of ?O-Conotoxin GeXIVA. J Med Chem63:1564-1575 (2020) [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-2 |
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Name: | Neuronal acetylcholine receptor subunit alpha-2/beta-2 |
Synonyms: | Neuronal acetylcholine receptor protein alpha-2/beta-2 subunit | Neuronal acetylcholine receptor; alpha2/beta2 | nAChR subtypes alpha2 beta2 |
Type: | n/a |
Mol. Mass.: | n/a |
Description: | ASSAY_ID of EBI is 143226 |
Components: | This complex has 2 components. |
Component 1 |
Name: | Neuronal acetylcholine receptor subunit alpha-2 |
Synonyms: | ACHA2_RAT | Acra2 | Cholinergic, Nicotinic Alpha2Beta2 | Cholinergic, Nicotinic Alpha2Beta4 | Chrna2 |
Type: | Enzyme |
Mol. Mass.: | 58597.25 |
Organism: | Rattus norvegicus (Rat) |
Description: | P12389 |
Residue: | 511 |
Sequence: | MTLSHSALQFWTHLYLWCLLLVPAVLTQQGSHTHAEDRLFKHLFGGYNRWARPVPNTSDV
VIVRFGLSIAQLIDVDEKNQMMTTNVWLKQEWNDYKLRWDPAEFGNVTSLRVPSEMIWIP
DIVLYNNADGEFAVTHMTKAHLFFTGTVHWVPPAIYKSSCSIDVTFFPFDQQNCKMKFGS
WTYDKAKIDLEQMERTVDLKDYWESGEWAIINATGTYNSKKYDCCAEIYPDVTYYFVIRR
LPLFYTINLIIPCLLISCLTVLVFYLPSECGEKITLCISVLLSLTVFLLLITEIIPSTSL
VIPLIGEYLLFTMIFVTLSIVITVFVLNVHHRSPSTHNMPNWVRVALLGRVPRWLMMNRP
LPPMELHGSPDLKLSPSYHWLETNMDAGEREETEEEEEEEDENICVCAGLPDSSMGVLYG
HGGLHLRAMEPETKTPSQASEILLSPQIQKALEGVHYIADRLRSEDADSSVKEDWKYVAM
VVDRIFLWLFIIVCFLGTIGLFLPPFLAGMI
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Component 2 |
Name: | Neuronal acetylcholine receptor subunit beta-2 |
Synonyms: | ACHB2_RAT | Acrb2 | Chrnb2 | N-alpha 1 | Neuronal acetylcholine receptor non-alpha-1 chain |
Type: | Enzyme |
Mol. Mass.: | 56910.32 |
Organism: | Rattus norvegicus (Rat) |
Description: | P12390 |
Residue: | 500 |
Sequence: | MAGHSNSMALFSFSLLWLCSGVLGTDTEERLVEHLLDPSRYNKLIRPATNGSELVTVQLM
VSLAQLISVHEREQIMTTNVWLTQEWEDYRLTWKPEDFDNMKKVRLPSKHIWLPDVVLYN
NADGMYEVSFYSNAVVSYDGSIFWLPPAIYKSACKIEVKHFPFDQQNCTMKFRSWTYDRT
EIDLVLKSDVASLDDFTPSGEWDIIALPGRRNENPDDSTYVDITYDFIIRRKPLFYTINL
IIPCVLITSLAILVFYLPSDCGEKMTLCISVLLALTVFLLLISKIVPPTSLDVPLVGKYL
MFTMVLVTFSIVTSVCVLNVHHRSPTTHTMAPWVKVVFLEKLPTLLFLQQPRHRCARQRL
RLRRRQREREGAGALFFREGPAADPCTCFVNPASVQGLAGAFRAEPTAAGPGRSVGPCSC
GLREAVDGVRFIADHMRSEDDDQSVREDWKYVAMVIDRLFLWIFVFVCVFGTVGMFLQPL
FQNYTATTFLHPDHSAPSSK
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BDBM50520480 |
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n/a |
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Name | BDBM50520480 |
Synonyms: | CHEMBL4450578 |
Type | Small organic molecule |
Emp. Form. | C139H229N55O43S2 |
Mol. Mass. | 3422.778 |
SMILES | CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](C(C)C)C(O)=O |r| |
Structure |
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