Reaction Details |
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Target | Neuronal acetylcholine receptor subunit alpha-3/alpha-6/beta-2/beta-3 |
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Ligand | BDBM50498035 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_1451540 (CHEMBL3365061) |
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EC50 | 180±n/a nM |
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Citation | Strachan, JP; Kombo, DC; Mazurov, A; Heemstra, R; Bhatti, BS; Akireddy, R; Murthy, S; Miao, L; Jett, JE; Speake, J; Bencherif, M Identification and pharmacological characterization of 3,6-diazabicyclo[3.1.1]heptane-3-carboxamides as novel ligands for the ?4?2 and ?6/?3?2?3 nicotinic acetylcholine receptors (nAChRs). Eur J Med Chem86:60-74 (2014) [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-3/alpha-6/beta-2/beta-3 |
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Name: | Neuronal acetylcholine receptor subunit alpha-3/alpha-6/beta-2/beta-3 |
Synonyms: | Neuronal acetylcholine receptor protein beta-2 subunit/protein beta-3 subunit/subunit alpha-3/subunit alpha-6 | Neuronal acetylcholine receptor; alpha3/alpha6/beta2/beta3 |
Type: | n/a |
Mol. Mass.: | n/a |
Description: | ASSAY_ID of EBI is 306494 |
Components: | This complex has 4 components. |
Component 1 |
Name: | Neuronal acetylcholine receptor subunit beta-3 |
Synonyms: | ACHB3_HUMAN | CHRNB3 | Neuronal acetylcholine receptor protein beta-3 subunit | Neuronal acetylcholine receptor subunit beta-3 |
Type: | PROTEIN |
Mol. Mass.: | 52736.06 |
Organism: | Homo sapiens (Human) |
Description: | EBI_10025 |
Residue: | 458 |
Sequence: | MLPDFMLVLIVLGIPSSATTGFNSIAENEDALLRHLFQGYQKWVRPVLHSNDTIKVYFGL
KISQLVDVDEKNQLMTTNVWLKQEWTDHKLRWNPDDYGGIHSIKVPSESLWLPDIVLFEN
ADGRFEGSLMTKVIVKSNGTVVWTPPASYKSSCTMDVTFFPFDRQNCSMKFGSWTYDGTM
VDLILINENVDRKDFFDNGEWEILNAKGMKGNRRDGVYSYPFITYSFVLRRLPLFYTLFL
IIPCLGLSFLTVLVFYLPSDEGEKLSLSTSVLVSLTVFLLVIEEIIPSSSKVIPLIGEYL
LFIMIFVTLSIIVTVFVINVHHRSSSTYHPMAPWVKRLFLQKLPKLLCMKDHVDRYSSPE
KEESQPVVKGKVLEKKKQKQLSDGEKVLVAFLEKAADSIRYISRHVKKEHFISQVVQDWK
FVAQVLDRIFLWLFLIVSVTGSVLIFTPALKMWLHSYH
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Component 2 |
Name: | Neuronal acetylcholine receptor subunit beta-2 |
Synonyms: | ACHB2_HUMAN | CHRNB2 | Neuronal acetylcholine receptor protein beta-2 subunit | Nicotinic acetylcholine receptor alpha3/beta2/alpha5 |
Type: | Protein |
Mol. Mass.: | 57020.50 |
Organism: | Homo sapiens (Human) |
Description: | P17787 |
Residue: | 502 |
Sequence: | MARRCGPVALLLGFGLLRLCSGVWGTDTEERLVEHLLDPSRYNKLIRPATNGSELVTVQL
MVSLAQLISVHEREQIMTTNVWLTQEWEDYRLTWKPEEFDNMKKVRLPSKHIWLPDVVLY
NNADGMYEVSFYSNAVVSYDGSIFWLPPAIYKSACKIEVKHFPFDQQNCTMKFRSWTYDR
TEIDLVLKSEVASLDDFTPSGEWDIVALPGRRNENPDDSTYVDITYDFIIRRKPLFYTIN
LIIPCVLITSLAILVFYLPSDCGEKMTLCISVLLALTVFLLLISKIVPPTSLDVPLVGKY
LMFTMVLVTFSIVTSVCVLNVHHRSPTTHTMAPWVKVVFLEKLPALLFMQQPRHHCARQR
LRLRRRQREREGAGALFFREAPGADSCTCFVNRASVQGLAGAFGAEPAPVAGPGRSGEPC
GCGLREAVDGVRFIADHMRSEDDDQSVSEDWKYVAMVIDRLFLWIFVFVCVFGTIGMFLQ
PLFQNYTTTTFLHSDHSAPSSK
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Component 3 |
Name: | Neuronal acetylcholine receptor subunit alpha-3 |
Synonyms: | ACHA3_HUMAN | CHRNA3 | Cholinergic, Nicotinic Alpha3Beta2 | Cholinergic, Nicotinic Alpha3Beta4 | Cholinergic, Nicotinic Alpha3Beta4x | Integrin alpha-5/Neuronal acetylcholine receptor subunit alpha-3/Neuronal acetylcholine receptor subunit beta-2/Neuronal acetylcholine receptor subunit beta-4 | NACHRA3 | Neuronal acetylcholine receptor protein alpha-3 subunit | Neuronal acetylcholine receptor subunit alpha-3 | Nicotinic acetylcholine receptor alpha6/alpha3/beta4 | nicotinic central |
Type: | Enzyme Catalytic Domain |
Mol. Mass.: | 57479.03 |
Organism: | Homo sapiens (Human) |
Description: | Cholinergic, Nicotinic Alpha3Beta2 0 HUMAN::P32297 |
Residue: | 505 |
Sequence: | MGSGPLSLPLALSPPRLLLLLLLSLLPVARASEAEHRLFERLFEDYNEIIRPVANVSDPV
IIHFEVSMSQLVKVDEVNQIMETNLWLKQIWNDYKLKWNPSDYGGAEFMRVPAQKIWKPD
IVLYNNAVGDFQVDDKTKALLKYTGEVTWIPPAIFKSSCKIDVTYFPFDYQNCTMKFGSW
SYDKAKIDLVLIGSSMNLKDYWESGEWAIIKAPGYKHDIKYNCCEEIYPDITYSLYIRRL
PLFYTINLIIPCLLISFLTVLVFYLPSDCGEKVTLCISVLLSLTVFLLVITETIPSTSLV
IPLIGEYLLFTMIFVTLSIVITVFVLNVHYRTPTTHTMPSWVKTVFLNLLPRVMFMTRPT
SNEGNAQKPRPLYGAELSNLNCFSRAESKGCKEGYPCQDGMCGYCHHRRIKISNFSANLT
RSSSSESVDAVLSLSALSPEIKEAIQSVKYIAENMKAQNEAKEIQDDWKYVAMVIDRIFL
WVFTLVCILGTAGLFLQPLMAREDA
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Component 4 |
Name: | Neuronal acetylcholine receptor subunit alpha-6 |
Synonyms: | ACHA6_HUMAN | CHRNA6 | Neuronal acetylcholine receptor protein alpha-6 subunit |
Type: | PROTEIN |
Mol. Mass.: | 56898.54 |
Organism: | Homo sapiens (Human) |
Description: | EBI_12774 |
Residue: | 494 |
Sequence: | MLTSKGQGFLHGGLCLWLCVFTPFFKGCVGCATEERLFHKLFSHYNQFIRPVENVSDPVT
VHFEVAITQLANVDEVNQIMETNLWLRHIWNDYKLRWDPMEYDGIETLRVPADKIWKPDI
VLYNNAVGDFQVEGKTKALLKYNGMITWTPPAIFKSSCPMDITFFPFDHQNCSLKFGSWT
YDKAEIDLLIIGSKVDMNDFWENSEWEIIDASGYKHDIKYNCCEEIYTDITYSFYIRRLP
MFYTINLIIPCLFISFLTVLVFYLPSDCGEKVTLCISVLLSLTVFLLVITETIPSTSLVV
PLVGEYLLFTMIFVTLSIVVTVFVLNIHYRTPTTHTMPRWVKTVFLKLLPQVLLMRWPLD
KTRGTGSDAVPRGLARRPAKGKLASHGEPRHLKECFHCHKSNELATSKRRLSHQPLQWVV
ENSEHSPEVEDVINSVQFIAENMKSHNETKEVEDDWKYVAMVVDRVFLWVFIIVCVFGTA
GLFLQPLLGNTGKS
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BDBM50498035 |
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n/a |
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Name | BDBM50498035 |
Synonyms: | CHEMBL3329530 |
Type | Small organic molecule |
Emp. Form. | C8H14N2O |
Mol. Mass. | 154.2096 |
SMILES | CCC(=O)N1CC2CC(C1)N2 |
Structure |
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