Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetNeuronal acetylcholine receptor subunit alpha-3/alpha-6/beta-2/beta-3
LigandBDBM50498049
Substrate/Competitorn/a
Meas. Tech.ChEMBL_1451535 (CHEMBL3365056)
Ki 2900±n/a nM
Citation Strachan, JPKombo, DCMazurov, AHeemstra, RBhatti, BSAkireddy, RMurthy, SMiao, LJett, JESpeake, JBencherif, 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
More Info.:Get all data from this article,  Assay Method
 
Neuronal acetylcholine receptor subunit alpha-3/alpha-6/beta-2/beta-3
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
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
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
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
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
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
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
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50498049
n/a
NameBDBM50498049
Synonyms:CHEMBL3329534
TypeSmall organic molecule
Emp. Form.C11H18N2O
Mol. Mass.194.2734
SMILESO=C(C1CCCC1)N1CC2CC(C1)N2
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: