Reaction Details  Report a problem with these data
Target
Neuronal acetylcholine receptor subunit alpha-3
Ligand
BDBM50296747
Substrate
n/a
Meas. Tech.
ChEMBL_582488 (CHEMBL1058165)
IC50
1390±n/a nM
Citation
 O'Donnell, CJ; Peng, L; O'Neill, BT; Arnold, EP; Mather, RJ; Sands, SB; Shrikhande, A; Lebel, LA; Spracklin, DK; Nedza, FM Synthesis and SAR studies of 1,4-diazabicyclo[3.2.2]nonane phenyl carbamates--subtype selective, high affinity alpha7 nicotinic acetylcholine receptor agonists. Bioorg Med Chem Lett 19:4747-51 (2009) [PubMed]  Article
Target
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:
MGSGPLSLPLALSPPRLLLLLLLSLLPVARASEAEHRLFERLFEDYNEIIRPVANVSDPVIIHFEVSMSQLVKVDEVNQIMETNLWLKQIWNDYKLKWNPSDYGGAEFMRVPAQKIWKPDIVLYNNAVGDFQVDDKTKALLKYTGEVTWIPPAIFKSSCKIDVTYFPFDYQNCTMKFGSWSYDKAKIDLVLIGSSMNLKDYWESGEWAIIKAPGYKHDIKYNCCEEIYPDITYSLYIRRLPLFYTINLIIPCLLISFLTVLVFYLPSDCGEKVTLCISVLLSLTVFLLVITETIPSTSLVIPLIGEYLLFTMIFVTLSIVITVFVLNVHYRTPTTHTMPSWVKTVFLNLLPRVMFMTRPTSNEGNAQKPRPLYGAELSNLNCFSRAESKGCKEGYPCQDGMCGYCHHRRIKISNFSANLTRSSSSESVDAVLSLSALSPEIKEAIQSVKYIAENMKAQNEAKEIQDDWKYVAMVIDRIFLWVFTLVCILGTAGLFLQPLMAREDA
  
Inhibitor
Name:
BDBM50296747
Synonyms:
3-benzoyl-4-bromophenyl 1,4-diazabicyclo[3.2.2]nonane-4-carboxylate | CHEMBL564825
Type:
Small organic molecule
Emp. Form.:
C21H21BrN2O3
Mol. Mass.:
429.307
SMILES:
Brc1ccc(OC(=O)N2CCN3CCC2CC3)cc1C(=O)c1ccccc1 |TLB:6:8:13.12:15.16,(17.84,-19.26,;16.66,-20.26,;15.15,-19.71,;13.93,-20.75,;14.21,-22.32,;12.98,-23.35,;11.48,-22.81,;11.19,-21.22,;10.25,-23.84,;10.63,-25.37,;9.59,-24.62,;8.15,-24.69,;8.06,-22.92,;8.71,-21.72,;8.78,-23.2,;7.43,-23.93,;7.12,-25.43,;15.72,-22.87,;16.95,-21.84,;18.39,-22.36,;18.66,-23.88,;19.57,-21.37,;21.02,-21.91,;22.19,-20.92,;21.93,-19.4,;20.47,-18.88,;19.3,-19.87,)|
Structure:
Search PDB for entries with ligand similarity: