Reaction Details Report a problem with these data
Target
Muscarinic acetylcholine receptor M4
Ligand
BDBM50253157
Substrate
n/a
Meas. Tech.
ChEMBL_1804552 (CHEMBL4303776)
Ki
54±n/a nM
Citation
 Gordon, DE; Jang, GM; Bouhaddou, M; Xu, J; Obernier, K; White, KM; O'Meara, MJ; Rezelj, VV; Guo, JZ; Swaney, DL; Tummino, TA; Hüttenhain, R; Kaake, RM; Richards, AL; Tutuncuoglu, B; Foussard, H; Batra, J; Haas, K; Modak, M; Kim, M; Haas, P; Polacco, BJ; Braberg, H; Fabius, JM; Eckhardt, M; Soucheray, M; Bennett, MJ; Cakir, M; McGregor, MJ; Li, Q; Meyer, B; Roesch, F; Vallet, T; Mac Kain, A; Miorin, L; Moreno, E; Naing, ZZC; Zhou, Y; Peng, S; Shi, Y; Zhang, Z; Shen, W; Kirby, IT; Melnyk, JE; Chorba, JS; Lou, K; Dai, SA; Barrio-Hernandez, I; Memon, D; Hernandez-Armenta, C; Lyu, J; Mathy, CJP; Perica, T; Pilla, KB; Ganesan, SJ; Saltzberg, DJ; Rakesh, R; Liu, X; Rosenthal, SB; Calviello, L; Venkataramanan, S; Liboy-Lugo, J; Lin, Y; Huang, XP; Liu, Y; Wankowicz, SA; Bohn, M; Safari, M; Ugur, FS; Koh, C; Savar, NS; Tran, QD; Shengjuler, D; Fletcher, SJ; O'Neal, MC; Cai, Y; Chang, JCJ; Broadhurst, DJ; Klippsten, S; Sharp, PP; Wenzell, NA; Kuzuoglu-Ozturk, D; Wang, HY; Trenker, R; Young, JM; Cavero, DA; Hiatt, J; Roth, TL; Rathore, U; Subramanian, A; Noack, J; Hubert, M; Stroud, RM; Frankel, AD; Rosenberg, OS; Verba, KA; Agard, DA; Ott, M; Emerman, M; Jura, N; von Zastrow, M; Verdin, E; Ashworth, A; Schwartz, O; d'Enfert, C; Mukherjee, S; Jacobson, M; Malik, HS; Fujimori, DG; Ideker, T; Craik, CS; Floor, SN; Fraser, JS; Gross, JD; Sali, A; Roth, BL; Ruggero, D; Taunton, J; Kortemme, T; Beltrao, P; Vignuzzi, M; García-Sastre, A; Shokat, KM; Shoichet, BK; Krogan, NJ A SARS-CoV-2 protein interaction map reveals targets for drug repurposing. Nature 583:459-468 (2020) [PubMed]  Article 
Target
Name:
Muscarinic acetylcholine receptor M4
Synonyms:
ACM4_HUMAN | CHRM4 | Cholinergic, muscarinic M4 | Muscarinic acetylcholine receptor | Muscarinic acetylcholine receptor M2 and M4
Type:
Enzyme Catalytic Domain
Mol. Mass.:
53079.31
Organism:
Homo sapiens (Human)
Description:
Cholinergic, muscarinic M4 CHRM4 HUMAN M3::P08173
Residue:
479
Sequence:
MANFTPVNGSSGNQSVRLVTSSSHNRYETVEMVFIATVTGSLSLVTVVGNILVMLSIKVNRQLQTVNNYFLFSLACADLIIGAFSMNLYTVYIIKGYWPLGAVVCDLWLALDYVVSNASVMNLLIISFDRYFCVTKPLTYPARRTTKMAGLMIAAAWVLSFVLWAPAILFWQFVVGKRTVPDNQCFIQFLSNPAVTFGTAIAAFYLPVVIMTVLYIHISLASRSRVHKHRPEGPKEKKAKTLAFLKSPLMKQSVKKPPPGEAAREELRNGKLEEAPPPALPPPPRPVADKDTSNESSSGSATQNTKERPATELSTTEATTPAMPAPPLQPRALNPASRWSKIQIVTKQTGNECVTAIEIVPATPAGMRPAANVARKFASIARNQVRKKRQMAARERKVTRTIFAILLAFILTWTPYNVMVLVNTFCQSCIPDTVWSIGYWLCYVNSTINPACYALCNATFKKTFRHLLLCQYRNIGTAR
  
Inhibitor
Name:
BDBM50253157
Synonyms:
(+)-(2R)-2-(2-(((R)-p-chloro-alpha-methyl-alpha-phenylbenzyl)oxy)ethyl)-1-methylpyrrolidine | (+)-(2R)-2-[2-[[(R)-p-chloro-alpha-methyl-alpha-phenylbenzyl]oxy]ethyl]-1-methylpyrrolidine | (2R)-2-{2-[(1R)-1-(4-chlorophenyl)-1-phenylethoxy]ethyl}-1-methylpyrrolidine | CHEMBL1626 | CLEMASTINE
Type:
Small organic molecule
Emp. Form.:
C21H26ClNO
Mol. Mass.:
343.89
SMILES:
CN1CCC[C@@H]1CCO[C@](C)(c1ccccc1)c1ccc(Cl)cc1 |r|
Structure:
Search PDB for entries with ligand similarity: