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Q04844 | ACHE_HUMAN | Acetylcholine receptor subunit epsilon (CHRNE)

3D structures mapped by conservation among orthologs



[ Alpha Fold Model ] (go)


Known binders annotated in ChEMBL

IC50 table Ki table

molecule_chembl_id structure assay_type relation values units mol_wt smiles organism assay_chembl_id bao_label
CHEMBL4473371 OBDepict CH 3 O N HS N N N N N N SH O H 3 C Ki = 3.07 nM 489.59 COc1cccc(-n2c(S)nnc2-c2ccc(-c3nnc(S)n3-c3cccc(OC)c3)nc2)c1 Homo sapiens CHEMBL4368211 single protein format
CHEMBL4435544 OBDepict O O O N N N NH N IC50 = 6.0 nM 537.66 O=c1ccc2ccc(OCCCCCCCn3cc(CNc4c5c(nc6ccccc46)CCCC5)nn3)cc2o1 Homo sapiens CHEMBL4368193 single protein format
CHEMBL4471876 OBDepict Cl N HN N N N O O CH 3 O IC50 = 27.0 nM 558.08 Cc1cc(=O)oc2cc(OCCCCCn3cc(CNc4c5c(nc6cc(Cl)ccc46)CCCC5)nn3)ccc12 Homo sapiens CHEMBL4368193 single protein format
CHEMBL95 OBDepict NH 2 N IC50 = 44.0 nM 198.27 Nc1c2c(nc3ccccc13)CCCC2 Homo sapiens CHEMBL917782 single protein format
CHEMBL4518438 OBDepict O N H N N N O N CH 3 N H O N IC50 = 46.5 nM 481.52 Cc1nn(CC(=O)N/N=C/c2ccccc2)c(=O)n1-c1ccc(C(=O)N/N=C/c2ccccc2)cc1 Homo sapiens CHEMBL4368212 single protein format
CHEMBL4516351 OBDepict Cl N NH O N N O N CH 3 N H O N Cl IC50 = 57.4 nM 550.41 Cc1nn(CC(=O)N/N=C/c2ccc(Cl)cc2)c(=O)n1-c1ccc(C(=O)N/N=C/c2ccc(Cl)cc2)cc1 Homo sapiens CHEMBL4368212 single protein format
CHEMBL4514263 OBDepict CH 3 O N NH O N N O N CH 3 N H O N O CH 3 IC50 = 62.3 nM 541.57 COc1ccc(/C=N/NC(=O)Cn2nc(C)n(-c3ccc(C(=O)N/N=C/c4ccc(OC)cc4)cc3)c2=O)cc1 Homo sapiens CHEMBL4368212 single protein format
CHEMBL2376519 OBDepict H N N S N S IC50 = 81.82 nM 259.36 S=c1[nH]nc(-c2cccs2)n1-c1ccccc1 Homo sapiens CHEMBL4368200 single protein format
CHEMBL224906 OBDepict OH N NH 2 IC50 = 125.0 nM 228.29 Nc1c2c(nc3c(CO)cccc13)CCCC2 Homo sapiens CHEMBL917782 single protein format
CHEMBL95 OBDepict NH 2 N Ki = 152.28 nM 198.27 Nc1c2c(nc3ccccc13)CCCC2 Homo sapiens CHEMBL4368211 single protein format