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P43681 | ACHA4_HUMAN | Neuronal acetylcholine receptor subunit alpha-4 (CHRNA4)

3D structures mapped by conservation among orthologs

[ Domain: "Nicotinic receptor ligand binding domain-like" // Neur_chan_LBD ]

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[ Domain: "Neurotransmitter-gated ion-channel transmembrane pore" // Neur_chan_memb ]

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[ Domain: pdbs with more than 2 multi-domains ]

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[ Alpha Fold Model ] (go)


Known binders annotated in ChEMBL

Ki table

molecule_chembl_id structure assay_type relation values units mol_wt smiles organism assay_chembl_id bao_label
CHEMBL2179534 OBDepict Br O N O NH Ki = 1.5 nM 285.14 O=C(c1occc1Br)N1CC2CNCC2C1 Homo sapiens CHEMBL3707774 single protein format
CHEMBL3676980 OBDepict O N O Br Br NH Ki = 1.6 nM 378.06 O=C(c1cc(Br)c(Br)o1)N1CC2CNCC(C2)C1 Homo sapiens CHEMBL3707774 single protein format
CHEMBL2179547 OBDepict Br O N O HN Ki = 1.7 nM 299.17 O=C(c1cc(Br)co1)N1CC2CNCC(C2)C1 Homo sapiens CHEMBL3707774 single protein format
CHEMBL2179531 OBDepict Cl O N O NH Ki = 2.4 nM 240.69 O=C(c1occc1Cl)N1CC2CNCC2C1 Homo sapiens CHEMBL3707774 single protein format
CHEMBL2179540 OBDepict F O N O HN Ki = 4.6 nM 238.26 O=C(c1ccc(F)o1)N1CC2CNCC(C2)C1 Homo sapiens CHEMBL3707774 single protein format
CHEMBL3676962 OBDepict O N O Br Br N H Ki = 4.9 nM 364.04 O=C(c1cc(Br)c(Br)o1)N1CC2CNCC2C1 Homo sapiens CHEMBL3707774 single protein format
CHEMBL3676982 OBDepict O N O Br CH 3 HN Ki = 5.2 nM 313.2 Cc1oc(C(=O)N2CC3CNCC(C3)C2)cc1Br Homo sapiens CHEMBL3707774 single protein format
CHEMBL2179544 OBDepict Cl O N O HN Ki = 5.2 nM 254.72 O=C(c1cc(Cl)co1)N1CC2CNCC(C2)C1 Homo sapiens CHEMBL3707774 single protein format
CHEMBL2179543 OBDepict Cl O N O HN Ki = 7.3 nM 254.72 O=C(c1ccc(Cl)o1)N1CC2CNCC(C2)C1 Homo sapiens CHEMBL3707774 single protein format
CHEMBL3676986 OBDepict _ C + N O N O HN Ki = 8.7 nM 245.28 [C-]#[N+]c1ccc(C(=O)N2CC3CNCC(C3)C2)o1 Homo sapiens CHEMBL3707774 single protein format
CHEMBL2179516 OBDepict O N O H 3 C N HN Ki = 9.2 nM 221.26 Cc1ncoc1C(=O)N1CC2CNCC2C1 Homo sapiens CHEMBL3707774 single protein format
CHEMBL2179530 OBDepict O N O Cl NH Ki = 9.7 nM 240.69 O=C(c1cc(Cl)co1)N1CC2CNCC2C1 Homo sapiens CHEMBL3707774 single protein format
CHEMBL2179967 OBDepict O N O HN Ki = 9.9 nM 220.27 O=C(c1ccco1)N1CC2CNCC(C2)C1 Homo sapiens CHEMBL3707774 single protein format
CHEMBL3676981 OBDepict O N N O HN Ki = 10.0 nM 221.26 O=C(c1ccon1)N1CC2CNCC(C2)C1 Homo sapiens CHEMBL3707774 single protein format
CHEMBL3676951 OBDepict O N O H 3 C N HN Ki = 14.0 nM 221.26 Cc1nocc1C(=O)N1CC2CNCC2C1 Homo sapiens CHEMBL3707774 single protein format
CHEMBL3676967 OBDepict O N O F CH 3 N H Ki = 14.0 nM 238.26 Cc1cc(F)c(C(=O)N2CC3CNCC3C2)o1 Homo sapiens CHEMBL3707774 single protein format
CHEMBL3676963 OBDepict _ C + N O N O HN Ki = 14.0 nM 231.25 [C-]#[N+]c1ccoc1C(=O)N1CC2CNCC2C1 Homo sapiens CHEMBL3707774 single protein format
CHEMBL2179541 OBDepict F O N O HN Ki = 14.0 nM 238.26 O=C(c1cc(F)co1)N1CC2CNCC(C2)C1 Homo sapiens CHEMBL3707774 single protein format
CHEMBL2179526 OBDepict O N O F NH Ki = 16.0 nM 224.24 O=C(c1ccc(F)o1)N1CC2CNCC2C1 Homo sapiens CHEMBL3707774 single protein format
CHEMBL2179548 OBDepict Br O N O HN Ki = 17.0 nM 299.17 O=C(c1occc1Br)N1CC2CNCC(C2)C1 Homo sapiens CHEMBL3707774 single protein format
CHEMBL3676970 OBDepict Br N O N O HN Ki = 18.0 nM 300.16 O=C(c1cc(Br)no1)N1CC2CNCC(C2)C1 Homo sapiens CHEMBL3707774 single protein format
CHEMBL2179524 OBDepict O N N NH Ki = 18.0 nM 231.3 O=C(c1ccncc1)N1CC2CNCC(C2)C1 Homo sapiens CHEMBL3707774 single protein format
CHEMBL2179533 OBDepict O N O Br NH Ki = 18.0 nM 285.14 O=C(c1cc(Br)co1)N1CC2CNCC2C1 Homo sapiens CHEMBL3707774 single protein format
CHEMBL3676943 OBDepict H 3 C O N O N O N H Ki = 19.0 nM 237.26 COc1cc(C(=O)N2CC3CNCC3C2)on1 Homo sapiens CHEMBL3707774 single protein format
CHEMBL3676961 OBDepict H 3 C O N O HN Ki = 21.0 nM 286.38 CCCCC#Cc1coc(C(=O)N2CC3CNCC3C2)c1 Homo sapiens CHEMBL3707774 single protein format
CHEMBL3676974 OBDepict O N O H 3 C N HN Ki = 21.0 nM 235.29 Cc1nocc1C(=O)N1CC2CNCC(C2)C1 Homo sapiens CHEMBL3707774 single protein format
CHEMBL2179527 OBDepict O N O F NH Ki = 21.0 nM 224.24 O=C(c1cc(F)co1)N1CC2CNCC2C1 Homo sapiens CHEMBL3707774 single protein format
CHEMBL3676959 OBDepict O N O Br CH 3 N H Ki = 22.0 nM 299.17 Cc1oc(C(=O)N2CC3CNCC3C2)cc1Br Homo sapiens CHEMBL3707774 single protein format
CHEMBL3676978 OBDepict F F O N O HN Ki = 23.0 nM 332.35 O=C(c1cc(-c2cc(F)cc(F)c2)co1)N1CC2CNCC(C2)C1 Homo sapiens CHEMBL3707774 single protein format
CHEMBL3676989 OBDepict _ C + N O N O HN Ki = 23.0 nM 245.28 [C-]#[N+]c1coc(C(=O)N2CC3CNCC(C3)C2)c1 Homo sapiens CHEMBL3707774 single protein format
CHEMBL3676947 OBDepict O N O N H F F Ki = 24.0 nM 318.32 O=C(c1cc(-c2cc(F)cc(F)c2)co1)N1CC2CNCC2C1 Homo sapiens CHEMBL3707774 single protein format
CHEMBL3676984 OBDepict O N O N HN Ki = 26.0 nM 221.26 O=C(c1cnco1)N1CC2CNCC(C2)C1 Homo sapiens CHEMBL3707774 single protein format
CHEMBL2179528 OBDepict F O N O NH Ki = 27.0 nM 224.24 O=C(c1occc1F)N1CC2CNCC2C1 Homo sapiens CHEMBL3707774 single protein format
CHEMBL3676958 OBDepict O N O H 2 N NH Ki = 28.0 nM 221.26 Nc1coc(C(=O)N2CC3CNCC3C2)c1 Homo sapiens CHEMBL3707774 single protein format
CHEMBL2179538 OBDepict O N O H 3 C NH Ki = 28.0 nM 220.27 Cc1ccc(C(=O)N2CC3CNCC3C2)o1 Homo sapiens CHEMBL3707774 single protein format
CHEMBL2179529 OBDepict O N O Cl NH Ki = 28.0 nM 240.69 O=C(c1ccc(Cl)o1)N1CC2CNCC2C1 Homo sapiens CHEMBL3707774 single protein format
CHEMBL3676983 OBDepict CH 3 O O N O NH Ki = 28.0 nM 250.3 COc1ccoc1C(=O)N1CC2CNCC(C2)C1 Homo sapiens CHEMBL3707774 single protein format
CHEMBL3676953 OBDepict O N H 3 C O HN Ki = 29.0 nM 220.27 Cc1occc1C(=O)N1CC2CNCC2C1 Homo sapiens CHEMBL3707774 single protein format
CHEMBL2179545 OBDepict Cl O N O HN Ki = 29.0 nM 254.72 O=C(c1occc1Cl)N1CC2CNCC(C2)C1 Homo sapiens CHEMBL3707774 single protein format
CHEMBL3676991 OBDepict O N O N HN Ki = 30.0 nM 221.26 O=C(c1ccno1)N1CC2CNCC(C2)C1 Homo sapiens CHEMBL3707774 single protein format
CHEMBL3676942 OBDepict O N O + N O _ O N H Ki = 31.0 nM 251.24 O=C(c1ccc([N+](=O)[O-])o1)N1CC2CNCC2C1 Homo sapiens CHEMBL3707774 single protein format
CHEMBL3676952 OBDepict O N O N H 3 C NH Ki = 31.0 nM 221.26 Cc1cc(C(=O)N2CC3CNCC3C2)on1 Homo sapiens CHEMBL3707774 single protein format
CHEMBL3676990 OBDepict O N N H 3 C O HN Ki = 31.0 nM 235.29 Cc1oncc1C(=O)N1CC2CNCC(C2)C1 Homo sapiens CHEMBL3707774 single protein format
CHEMBL2179551 OBDepict N O N O HN Ki = 31.0 nM 245.28 N#Cc1ccoc1C(=O)N1CC2CNCC(C2)C1 Homo sapiens CHEMBL3707774 single protein format
CHEMBL2179966 OBDepict O N O NH Ki = 33.0 nM 206.25 O=C(c1ccco1)N1CC2CNCC2C1 Homo sapiens CHEMBL3707774 single protein format
CHEMBL3676979 OBDepict O N O HN O Ki = 35.0 nM 286.33 O=C(c1cc(-c2ccoc2)co1)N1CC2CNCC(C2)C1 Homo sapiens CHEMBL3707774 single protein format
CHEMBL3676957 OBDepict O N O F F F N H Ki = 36.0 nM 274.24 O=C(c1cc(C(F)(F)F)co1)N1CC2CNCC2C1 Homo sapiens CHEMBL3707774 single protein format
CHEMBL3676946 OBDepict CH 3 O O O CH 3 N O HN Ki = 40.0 nM 266.3 COc1coc(C(=O)N2CC3CNCC3C2)c1OC Homo sapiens CHEMBL3707774 single protein format
CHEMBL3676966 OBDepict O N O + N _ C N H Ki = 40.0 nM 231.25 [C-]#[N+]c1ccc(C(=O)N2CC3CNCC3C2)o1 Homo sapiens CHEMBL3707774 single protein format
CHEMBL2179552 OBDepict CH 3 O N O HN Ki = 42.0 nM 234.3 Cc1ccc(C(=O)N2CC3CNCC(C3)C2)o1 Homo sapiens CHEMBL3707774 single protein format
CHEMBL3676944 OBDepict O N O N H Ki = 43.0 nM 306.36 O=C(c1ccc(C#Cc2ccccc2)o1)N1CC2CNCC2C1 Homo sapiens CHEMBL3707774 single protein format
CHEMBL3676945 OBDepict O N O N Br NH Ki = 44.0 nM 286.13 O=C(c1cc(Br)no1)N1CC2CNCC2C1 Homo sapiens CHEMBL3707774 single protein format
CHEMBL3676956 OBDepict O N O H 3 C F F F N H Ki = 45.0 nM 288.27 Cc1cc(C(F)(F)F)c(C(=O)N2CC3CNCC3C2)o1 Homo sapiens CHEMBL3707774 single protein format
CHEMBL3676985 OBDepict CH O N O HN Ki = 47.0 nM 244.29 C#Cc1ccc(C(=O)N2CC3CNCC(C3)C2)o1 Homo sapiens CHEMBL3707774 single protein format
CHEMBL3676975 OBDepict CH 3 N O N O HN Ki = 47.0 nM 235.29 Cc1cc(C(=O)N2CC3CNCC(C3)C2)on1 Homo sapiens CHEMBL3707774 single protein format
CHEMBL3676965 OBDepict CH O N O N H Ki = 48.0 nM 230.27 C#Cc1ccc(C(=O)N2CC3CNCC3C2)o1 Homo sapiens CHEMBL3707774 single protein format
CHEMBL3676960 OBDepict CH 2 O N O N H Ki = 51.0 nM 232.28 C=Cc1ccoc1C(=O)N1CC2CNCC2C1 Homo sapiens CHEMBL3707774 single protein format
CHEMBL2179546 OBDepict Br O N O HN Ki = 51.0 nM 299.17 O=C(c1ccc(Br)o1)N1CC2CNCC(C2)C1 Homo sapiens CHEMBL3707774 single protein format
CHEMBL3319405 OBDepict H 3 C N S O O S N N H N H O O Cl N O Ki = 52.0 nM 578.12 CN1CCC(S(=O)(=O)c2ccc3nc(NC(=O)NC(=O)c4cc(N5CCOCC5)ccc4Cl)sc3c2)CC1 Homo sapiens CHEMBL3376389 single protein format
CHEMBL2179539 OBDepict H 3 C O N O HN Ki = 54.0 nM 220.27 Cc1ccoc1C(=O)N1CC2CNCC2C1 Homo sapiens CHEMBL3707774 single protein format
CHEMBL2179542 OBDepict F O N O HN Ki = 57.0 nM 238.26 O=C(c1occc1F)N1CC2CNCC(C2)C1 Homo sapiens CHEMBL3707774 single protein format
CHEMBL3676987 OBDepict CH 3 O F N O HN Ki = 62.0 nM 252.29 Cc1cc(F)c(C(=O)N2CC3CNCC(C3)C2)o1 Homo sapiens CHEMBL3707774 single protein format
CHEMBL3676977 OBDepict NH 2 O N O HN Ki = 62.0 nM 235.29 Nc1coc(C(=O)N2CC3CNCC(C3)C2)c1 Homo sapiens CHEMBL3707774 single protein format
CHEMBL3676954 OBDepict O NH O N O HN Ki = 63.0 nM 249.27 O=CNc1ccc(C(=O)N2CC3CNCC3C2)o1 Homo sapiens CHEMBL3707774 single protein format
CHEMBL3676973 OBDepict O N O H 3 C N HN Ki = 64.0 nM 235.29 Cc1ncoc1C(=O)N1CC2CNCC(C2)C1 Homo sapiens CHEMBL3707774 single protein format
CHEMBL2179956 OBDepict O N O N NH Ki = 69.0 nM 207.23 O=C(c1ccno1)N1CC2CNCC2C1 Homo sapiens CHEMBL3707774 single protein format
CHEMBL2179532 OBDepict O N O Br NH Ki = 73.0 nM 285.14 O=C(c1ccc(Br)o1)N1CC2CNCC2C1 Homo sapiens CHEMBL3707774 single protein format
CHEMBL3676976 OBDepict O N N O HN Ki = 83.0 nM 261.32 O=C(c1cc(C2CC2)on1)N1CC2CNCC(C2)C1 Homo sapiens CHEMBL3707774 single protein format
CHEMBL3676950 OBDepict O N N O H 3 C NH Ki = 84.0 nM 221.26 Cc1cc(C(=O)N2CC3CNCC3C2)no1 Homo sapiens CHEMBL3707774 single protein format
CHEMBL3676988 OBDepict O N N O HN Ki = 85.0 nM 221.26 O=C(c1ncco1)N1CC2CNCC(C2)C1 Homo sapiens CHEMBL3707774 single protein format
CHEMBL3676948 OBDepict O N O N H Ki = 86.0 nM 282.34 O=C(c1cc(-c2ccccc2)co1)N1CC2CNCC2C1 Homo sapiens CHEMBL3707774 single protein format
CHEMBL3676964 OBDepict O N N O NH Ki = 90.0 nM 207.23 O=C(c1ccon1)N1CC2CNCC2C1 Homo sapiens CHEMBL3707774 single protein format
CHEMBL3676949 OBDepict O N O N H O Ki = 95.0 nM 272.3 O=C(c1cc(-c2ccoc2)co1)N1CC2CNCC2C1 Homo sapiens CHEMBL3707774 single protein format
CHEMBL3676972 OBDepict CH 3 O N N O HN Ki = 96.0 nM 235.29 Cc1cc(C(=O)N2CC3CNCC(C3)C2)no1 Homo sapiens CHEMBL3707774 single protein format
CHEMBL3676955 OBDepict CH 3 O O N O N H Ki = 100.0 nM 236.27 COc1ccoc1C(=O)N1CC2CNCC2C1 Homo sapiens CHEMBL3707774 single protein format
CHEMBL3676968 OBDepict O N O F F N H Ki = 130.0 nM 256.25 O=C(c1coc(C(F)F)c1)N1CC2CNCC2C1 Homo sapiens CHEMBL3707774 single protein format
CHEMBL2179971 OBDepict O N N HN Ki = 160.0 nM 217.27 O=C(c1ccncc1)N1CC2CNCC2C1 Homo sapiens CHEMBL3707774 single protein format
CHEMBL3676969 OBDepict CH 3 O N O N O HN Ki = 180.0 nM 251.29 COc1cc(C(=O)N2CC3CNCC(C3)C2)on1 Homo sapiens CHEMBL3707774 single protein format
CHEMBL3676971 OBDepict CH 3 NH O O N O NH Ki = 210.0 nM 277.32 CC(=O)Nc1ccc(C(=O)N2CC3CNCC(C3)C2)o1 Homo sapiens CHEMBL3707774 single protein format
CHEMBL2179559 OBDepict O N O NH Ki = 220.0 nM 206.25 O=C(c1ccoc1)N1CC2CNCC2C1 Homo sapiens CHEMBL3707774 single protein format