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Target
Acetylcholine receptor subunit alpha
Ligand
BDBM50550026
Substrate
n/a
Meas. Tech.
ChEMBL_2026125 (CHEMBL4679938)
IC50
12300±n/a nM
Citation
 Cherney, EC; Zhang, L; Nara, S; Zhu, X; Gullo-Brown, J; Maley, D; Lin, TA; Hunt, JT; Huang, C; Yang, Z; Darienzo, C; Discenza, L; Ranasinghe, A; Grubb, M; Ziemba, T; Traeger, SC; Li, X; Johnston, K; Kopcho, L; Fereshteh, M; Foster, K; Stefanski, K; Fargnoli, J; Swanson, J; Brown, J; Delpy, D; Seitz, SP; Borzilleri, R; Vite, G; Balog, A Discovery and Preclinical Evaluation of BMS-986242, a Potent, Selective Inhibitor of Indoleamine-2,3-dioxygenase 1. ACS Med Chem Lett 12:288-294 (2021) [PubMed]  Article 
Target
Name:
Acetylcholine receptor subunit alpha
Synonyms:
ACHA_HUMAN | ACHRA | Acetylcholine receptor protein alpha chain | Acetylcholine receptor subunit alpha | CHNRA | CHRNA1 | Cholinergic, Nicotinic Alpha1Beta1DeltaGamma | Cholinergic, Nicotinic Alpha1Beta2 | Nicotinic acetylcholine receptor alpha-1/beta-1 | Nicotinic acetylcholine receptor alpha-1/beta-1/delta/epsilon | Nicotinic acetylcholine receptor alpha2/beta4 | alpha-1 Nicotinic AChR | n-AChR
Type:
Ion channel
Mol. Mass.:
54542.01
Organism:
Homo sapiens (Human)
Description:
n/a
Residue:
482
Sequence:
MEPWPLLLLFSLCSAGLVLGSEHETRLVAKLFKDYSSVVRPVEDHRQVVEVTVGLQLIQLINVDEVNQIVTTNVRLKQGDMVDLPRPSCVTLGVPLFSHLQNEQWVDYNLKWNPDDYGGVKKIHIPSEKIWRPDLVLYNNADGDFAIVKFTKVLLQYTGHITWTPPAIFKSYCEIIVTHFPFDEQNCSMKLGTWTYDGSVVAINPESDQPDLSNFMESGEWVIKESRGWKHSVTYSCCPDTPYLDITYHFVMQRLPLYFIVNVIIPCLLFSFLTGLVFYLPTDSGEKMTLSISVLLSLTVFLLVIVELIPSTSSAVPLIGKYMLFTMVFVIASIIITVIVINTHHRSPSTHVMPNWVRKVFIDTIPNIMFFSTMKRPSREKQDKKIFTEDIDISDISGKPGPPPMGFHSPLIKHPEVKSAIEGIKYIAETMKSDQESNNAAAEWKYVAMVMDHILLGVFMLVCIIGTLAVFAGRLIELNQQG
  
Inhibitor
Name:
BDBM50550026
Synonyms:
CHEMBL4786690
Type:
Small organic molecule
Emp. Form.:
C24H24ClFN2O
Mol. Mass.:
410.912
SMILES:
[H][C@]1(CC[C@@H](CC1)c1ccnc2ccc(F)cc12)[C@@H](C)NC(=O)c1ccc(Cl)cc1 |r,wU:4.7,18.21,wD:1.0,(55.56,-25.24,;55.58,-26.78,;54.24,-26.01,;52.9,-26.78,;52.91,-28.32,;54.25,-29.09,;55.57,-28.32,;51.57,-29.08,;50.24,-28.32,;48.91,-29.1,;48.92,-30.63,;50.25,-31.38,;50.25,-32.93,;51.58,-33.7,;52.92,-32.93,;54.25,-33.69,;52.91,-31.38,;51.58,-30.61,;56.91,-26.01,;56.91,-24.47,;58.24,-26.78,;58.24,-28.32,;56.9,-29.08,;59.58,-29.09,;59.57,-30.63,;60.9,-31.4,;62.24,-30.63,;63.57,-31.4,;62.23,-29.09,;60.9,-28.32,)|
Structure:
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