| Reaction Details |
|---|
 | Report a problem with these data |
| Target | Neuronal acetylcholine receptor subunit alpha-3/alpha-6/beta-4 |
|---|
| Ligand | BDBM50567413 |
|---|
| Substrate/Competitor | n/a |
|---|
| Meas. Tech. | ChEMBL_2103199 (CHEMBL4811702) |
|---|
| IC50 | 3.5±n/a nM |
|---|
| Citation |  Hone, AJ; Kaas, Q; Kearns, I; Hararah, F; Gajewiak, J; Christensen, S; Craik, DJ; McIntosh, JM Computational and Functional Mapping of Human and Rat ?6?4 Nicotinic Acetylcholine Receptors Reveals Species-Specific Ligand-Binding Motifs. J Med Chem64:1685-1700 (2021) [PubMed] Article |
|---|
| More Info.: | Get all data from this article, Assay Method |
|---|
| |
| Neuronal acetylcholine receptor subunit alpha-3/alpha-6/beta-4 |
|---|
| Name: | Neuronal acetylcholine receptor subunit alpha-3/alpha-6/beta-4 |
|---|
| Synonyms: | Nicotinic acetylcholine receptor alpha6/alpha3/beta4 |
|---|
| Type: | n/a |
|---|
| Mol. Mass.: | n/a |
|---|
| Description: | ASSAY_ID of ChEMBL is 2103199 |
|---|
| Components: | This complex has 3 components. |
|---|
| Component 1 |
| Name: | Neuronal acetylcholine receptor subunit beta-4 |
|---|
| Synonyms: | ACHB4_HUMAN | CHRNB4 | Cholinergic, Nicotinic Alpha6Beta3Beta4Alpha5 | Integrin alpha-5/Neuronal acetylcholine receptor subunit alpha-3/Neuronal acetylcholine receptor subunit beta-2/Neuronal acetylcholine receptor subunit beta-4 | Nicotinic acetylcholine receptor alpha6/alpha3/beta4 |
|---|
| Type: | Enzyme Catalytic Domain |
|---|
| Mol. Mass.: | 56388.51 |
|---|
| Organism: | Homo sapiens (Human) |
|---|
| Description: | Cholinergic, Nicotinic Alpha6Beta3Beta4Alpha5 0 HUMAN::P30926 |
|---|
| Residue: | 498 |
|---|
| Sequence: | MRRAPSLVLFFLVALCGRGNCRVANAEEKLMDDLLNKTRYNNLIRPATSSSQLISIKLQL
SLAQLISVNEREQIMTTNVWLKQEWTDYRLTWNSSRYEGVNILRIPAKRIWLPDIVLYNN
ADGTYEVSVYTNLIVRSNGSVLWLPPAIYKSACKIEVKYFPFDQQNCTLKFRSWTYDHTE
IDMVLMTPTASMDDFTPSGEWDIVALPGRRTVNPQDPSYVDVTYDFIIKRKPLFYTINLI
IPCVLTTLLAILVFYLPSDCGEKMTLCISVLLALTFFLLLISKIVPPTSLDVPLIGKYLM
FTMVLVTFSIVTSVCVLNVHHRSPSTHTMAPWVKRCFLHKLPTFLFMKRPGPDSSPARAF
PPSKSCVTKPEATATSTSPSNFYGNSMYFVNPASAASKSPAGSTPVAIPRDFWLRSSGRF
RQDVQEALEGVSFIAQHMKNDDEDQSVVEDWKYVAMVVDRLFLWVFMFVCVLGTVGLFLP
PLFQTHAASEGPYAAQRD
|
|
|
|---|
| Component 2 |
| 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
|
|
|
|---|
| Component 3 |
| 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
|
|
|
|---|
| BDBM50567413 |
|---|
| n/a |
|---|
| Name | BDBM50567413 |
|---|
| Synonyms: | CHEMBL4865365 |
|---|
| Type | Small organic molecule |
|---|
| Emp. Form. | C67H102N22O21S4 |
|---|
| Mol. Mass. | 1679.922 |
|---|
| SMILES | CC(C)C[C@@H]1NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@H]2CSSC[C@H](NC(=O)CN)C(=O)N[C@@H](CSSC[C@H](NC1=O)C(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)N2)C(C)C |r| |
|---|
| Structure | 
|
|---|
Search and Browse
