| Reaction Details |
|---|
 | Report a problem with these data |
| Target | Neuronal acetylcholine receptor subunit alpha-3/beta-2 |
|---|
| Ligand | BDBM50601894 |
|---|
| Substrate/Competitor | n/a |
|---|
| Meas. Tech. | ChEMBL_2238548 (CHEMBL5152444) |
|---|
| IC50 | 219±n/a nM |
|---|
| Citation |  Liang, J; Tae, HS; Zhao, Z; Li, X; Zhang, J; Chen, S; Jiang, T; Adams, DJ; Yu, R Mechanism of Action and Structure-Activity Relationship of ?-Conotoxin Mr1.1 at the Human ?9?10 Nicotinic Acetylcholine Receptor. J Med Chem65:16204-16217 (2022) [PubMed] Article |
|---|
| More Info.: | Get all data from this article, Assay Method |
|---|
| |
| Neuronal acetylcholine receptor subunit alpha-3/beta-2 |
|---|
| Name: | Neuronal acetylcholine receptor subunit alpha-3/beta-2 |
|---|
| Synonyms: | Neuronal acetylcholine receptor protein alpha-3/beta-2 subunit | Neuronal acetylcholine receptor protein beta-2 subunit/subunit alpha-3 | Neuronal acetylcholine receptor; alpha3/beta2 |
|---|
| Type: | n/a |
|---|
| Mol. Mass.: | n/a |
|---|
| Description: | ASSAY_ID of EBI is 143246 |
|---|
| Components: | This complex has 2 components. |
|---|
| Component 1 |
| 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
|
|
|
|---|
| 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
|
|
|
|---|
| BDBM50601894 |
|---|
| n/a |
|---|
| Name | BDBM50601894 |
|---|
| Synonyms: | CHEMBL5196098 |
|---|
| Type | Small organic molecule |
|---|
| Emp. Form. | C62H95N21O22S4 |
|---|
| Mol. Mass. | 1614.805 |
|---|
| SMILES | CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(N)=O)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(=O)N2)C(C)C |r| |
|---|
| Structure | 
|
|---|
Search and Browse
