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P14867 | GBRA1_HUMAN | Gamma-aminobutyric acid receptor subunit alpha-1 (GABRA1)

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

IC50 table Ki table

molecule_chembl_id structure assay_type relation values units mol_wt smiles organism assay_chembl_id bao_label
CHEMBL1783256 OBDepict H 3 C HN O N N H 2 N O O CH 3 CH 3 Ki = 0.5 nM 366.42 CCCNC(=O)c1nnc2c(-c3cc(OC)ccc3OC)cccc2c1N Homo sapiens CHEMBL4403718 single protein format
CHEMBL1783282 OBDepict CH 3 NH O N N NH 2 F O H 3 C Ki = 0.5 nM 354.39 CCCNC(=O)c1nnc2c(-c3c(F)cccc3OC)cccc2c1N Homo sapiens CHEMBL4403718 single protein format
CHEMBL204696 OBDepict N F F N N N N HO CH 3 CH 3 Ki = 0.73 nM 391.38 CC(C)(O)c1cnn2c(-c3ccc(F)c(-c4c(F)cccc4C#N)c3)cnc2n1 Homo sapiens CHEMBL4403718 single protein format
CHEMBL363211 OBDepict H 3 C O N N N N N O H 3 C H 3 C CH 3 N N H 3 C N Ki = 0.8 nM 368.4 Cc1cc(-c2nncc3c(C(C)(C)C)c(OCc4ncnn4C)nn23)no1 Homo sapiens CHEMBL2327952 single protein format
CHEMBL306422 OBDepict CH 3 N N N O N N N N N O H 3 C Ki = 0.88 nM 362.35 Cc1cc(-c2nnc3c4ccccc4c(OCc4cn(C)nn4)nn23)no1 Homo sapiens CHEMBL4403718 single protein format
CHEMBL20042 OBDepict Cl N N O N IC50 = 1.0 nM 295.73 O=C1C2C=Nc3ccccc3C2=NN1c1ccc(Cl)cc1 Homo sapiens CHEMBL1687497 cell-based format
CHEMBL1681887 OBDepict Cl O N N N F IC50 = 1.0 nM 403.84 Fc1ccccc1-n1nc2c(cnc3ccccc32)c1OCc1ccccc1Cl Homo sapiens CHEMBL1687497 cell-based format
CHEMBL3659674 OBDepict CH 3 O N N N N OH CH 3 CH 3 IC50 = 1.2 nM 360.42 COc1ncccc1-c1cc(-n2cnc3cc(C(C)(C)O)ccc32)ccn1 Homo sapiens CHEMBL3705279 single protein format
CHEMBL45198 OBDepict H 3 C N S O N N N Ki = 1.3 nM 386.48 Cc1csc(-c2cc(-c3ccncc3)c3n(c2=O)CCCc2ccncc2-3)n1 Homo sapiens CHEMBL2327952 single protein format
CHEMBL407 OBDepict H 3 C O O N N N H 3 C O F Ki = 3.3 nM 303.29 CCOC(=O)c1ncn2c1CN(C)C(=O)c1cc(F)ccc1-2 Homo sapiens CHEMBL942240 cell-based format
CHEMBL3659676 OBDepict F N N N N OH H 3 C H 3 C IC50 = 7.5 nM 348.38 CC(C)(O)c1ccc2c(c1)ncn2-c1ccnc(-c2ccncc2F)c1 Homo sapiens CHEMBL3705279 single protein format
CHEMBL911 OBDepict CH 3 N N N O CH 3 H 3 C H 3 C IC50 = 14.0 nM 307.4 Cc1ccc(-c2nc3ccc(C)cn3c2CC(=O)N(C)C)cc1 Homo sapiens CHEMBL676828 tissue-based format
CHEMBL1077391 OBDepict Cl N N N N N Cl Ki = 15.0 nM 292.13 Clc1ccc2c(c1)-c1ncnn1Cc1c(Cl)ncn1-2 Homo sapiens CHEMBL4403718 single protein format
CHEMBL12 OBDepict Cl N N CH 3 O Ki = 16.0 nM 284.75 CN1C(=O)CN=C(c2ccccc2)c2cc(Cl)ccc21 Homo sapiens CHEMBL4403718 single protein format
CHEMBL3659677 OBDepict N N N N N HO CH 3 CH 3 IC50 = 26.0 nM 355.4 CC(C)(O)c1ccc2c(c1)ncn2-c1ccnc(-c2ccncc2C#N)c1 Homo sapiens CHEMBL3705279 single protein format
CHEMBL3659675 OBDepict Cl N N N N OH H 3 C H 3 C IC50 = 38.0 nM 364.84 CC(C)(O)c1ccc2c(c1)ncn2-c1ccnc(-c2cccnc2Cl)c1 Homo sapiens CHEMBL3705279 single protein format
CHEMBL1681889 OBDepict Cl N N O N Cl IC50 = 46.0 nM 424.33 Clc1ccc(-n2nc3c4c(ncc3c2OCc2ccccc2Cl)CCCC4)cc1 Homo sapiens CHEMBL1687497 cell-based format
CHEMBL52030 OBDepict CH 3 O O N N H N O O CH 3 Ki = 49.0 nM 341.37 CCOC(=O)c1ncn2c1[C@@H]1CCCN1C(=O)c1cc(OC)ccc1-2 Homo sapiens CHEMBL2327952 single protein format
CHEMBL1681897 OBDepict F O N N N Cl IC50 = 50.0 nM 407.88 Fc1ccc(COc2c3cnc4c(c3nn2-c2ccc(Cl)cc2)CCCC4)cc1 Homo sapiens CHEMBL1687497 cell-based format
CHEMBL1681888 OBDepict Cl O N N N O O IC50 = 50.0 nM 429.86 Clc1ccccc1COc1c2cnc3ccccc3c2nn1-c1ccc2c(c1)OCO2 Homo sapiens CHEMBL1687497 cell-based format
CHEMBL1522 OBDepict H 3 C N N O O H N N N N O Cl Ki = 50.1 nM 388.82 CN1CCN(C(=O)O[C@H]2c3nccnc3C(=O)N2c2ccc(Cl)cn2)CC1 Homo sapiens CHEMBL942240 cell-based format
CHEMBL911 OBDepict CH 3 N N N O CH 3 H 3 C H 3 C Ki = 61.9 nM 307.4 Cc1ccc(-c2nc3ccc(C)cn3c2CC(=O)N(C)C)cc1 Homo sapiens CHEMBL942240 cell-based format
CHEMBL1681886 OBDepict Cl N N O N Cl IC50 = 64.0 nM 420.3 Clc1ccc(-n2nc3c(cnc4ccccc43)c2OCc2ccccc2Cl)cc1 Homo sapiens CHEMBL1687497 cell-based format
CHEMBL1681895 OBDepict Cl N N O N F IC50 = 64.0 nM 407.88 Fc1ccccc1COc1c2cnc3c(c2nn1-c1ccc(Cl)cc1)CCCC3 Homo sapiens CHEMBL1687497 cell-based format
CHEMBL1681892 OBDepict Cl N N O N H 3 C H 3 C Cl IC50 = 67.0 nM 452.39 CC1(C)CCc2ncc3c(OCc4ccccc4Cl)n(-c4ccc(Cl)cc4)nc3c2C1 Homo sapiens CHEMBL1687497 cell-based format
CHEMBL178942 OBDepict N O N N N N Ki = 71.0 nM 383.45 c1ccc(-c2nnc3c4c(c(OCc5ccccn5)nn23)C2CCC4CC2)cc1 Homo sapiens CHEMBL4403718 single protein format
CHEMBL1681885 OBDepict Cl N N O N IC50 = 74.0 nM 349.82 Clc1ccc(-n2nc3c(cnc4ccccc43)c2OCC2CC2)cc1 Homo sapiens CHEMBL1687497 cell-based format
CHEMBL1681900 OBDepict Cl N N O N IC50 = 94.0 nM 353.85 Clc1ccc(-n2nc3c4c(ncc3c2OCC2CC2)CCCC4)cc1 Homo sapiens CHEMBL1687497 cell-based format
CHEMBL1681899 OBDepict Cl N N O N N N IC50 = 134.0 nM 415.88 Clc1ccc(-n2nc3c(cnc4ccc(-n5ccnc5)cc43)c2OCC2CC2)cc1 Homo sapiens CHEMBL1687497 cell-based format
CHEMBL4581355 OBDepict CH 3 N N N N H F N CH 3 N Ki = 140.0 nM 376.44 Cc1c(F)c(Nc2ccc(-c3cn(C)cn3)cn2)cc2c1ncn2CC1CC1 Homo sapiens CHEMBL4403718 single protein format
CHEMBL3586473 OBDepict CH 3 O F N Cl N N HN O HO IC50 = 150.0 nM 488.91 COc1cccc(F)c1C1=NCc2cnc(Nc3ccc(C(=O)O)cc3)nc2-c2ccc(Cl)cc21 Homo sapiens CHEMBL3586973 single protein format
CHEMBL1681894 OBDepict Cl O N N N Cl IC50 = 157.0 nM 424.33 Clc1ccc(COc2c3cnc4c(c3nn2-c2ccc(Cl)cc2)CCCC4)cc1 Homo sapiens CHEMBL1687497 cell-based format
CHEMBL1080588 OBDepict Br N N N N N F F Ki = 174.0 nM 352.14 FC(F)c1ncn2c1Cn1ncnc1-c1cc(Br)ccc1-2 Homo sapiens CHEMBL4403718 single protein format
CHEMBL1681890 OBDepict Cl N N O N Cl IC50 = 242.0 nM 438.36 Clc1ccc(-n2nc3c4c(ncc3c2OCc2ccccc2Cl)CCCCC4)cc1 Homo sapiens CHEMBL1687497 cell-based format
CHEMBL259084 OBDepict Cl N N F F N HN O OH IC50 = 330.0 nM 476.87 O=C(O)c1ccc(Nc2ncc3c(n2)-c2ccc(Cl)cc2C(c2c(F)cccc2F)=NC3)cc1 Homo sapiens CHEMBL3586973 single protein format
CHEMBL45346 OBDepict CH 3 O N N N H 3 C O Cl Ki = 362.0 nM 291.74 COCc1ncn2c1CN(C)C(=O)c1cc(Cl)ccc1-2 Homo sapiens CHEMBL4403718 single protein format
CHEMBL458317 OBDepict CH 3 S N N S S NH O O Cl IC50 = 470.0 nM 397.93 CSc1nccc(-c2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)s2)n1 Homo sapiens CHEMBL991888 cell-based format
CHEMBL3652872 OBDepict H 3 C N N S N O H O F F F IC50 = 479.0 nM 415.4 CC1=NN=C(c2cc3c(C(F)(F)F)cccc3s2)c2cc3oc(=O)[nH]c3cc2C1 Homo sapiens CHEMBL4132041 cell-based format
CHEMBL483158 OBDepict CH 3 O F N Cl N N NH O CH 3 O OH IC50 = 490.0 nM 518.93 COc1cc(Nc2ncc3c(n2)-c2ccc(Cl)cc2C(c2c(F)cccc2OC)=NC3)ccc1C(=O)O Homo sapiens CHEMBL3586973 single protein format
CHEMBL4553352 OBDepict CH N N N H CH 3 F N H O Ki = 542.0 nM 398.44 C#Cc1ccc2c(c1)C(c1ccccc1F)=N[C@H](C)c1c(C(=O)NC3CC3)ncn1-2 Homo sapiens CHEMBL4403718 single protein format
CHEMBL511684 OBDepict CH 3 S S O O Cl IC50 = 580.0 nM 340.9 CSC1SC(C(=O)c2ccc(Cl)cc2)C2CCCC(=O)C12 Homo sapiens CHEMBL991888 cell-based format
CHEMBL458144 OBDepict CH 3 S S O O H 3 C CH 3 Cl IC50 = 580.0 nM 368.95 CSC1SC(C(=O)c2ccc(Cl)cc2)C2CC(C)(C)CC(=O)C12 Homo sapiens CHEMBL991888 cell-based format
CHEMBL4228824 OBDepict CH 3 HN O N N H CH 3 N F HC Ki = 850.0 nM 372.4 C#Cc1ccc2c(c1)C(c1ccccc1F)=N[C@H](C)c1c(C(=O)NC)ncn1-2 Homo sapiens CHEMBL4403718 single protein format
CHEMBL3681419 OBDepict F N O O CH 3 N N O S O O Ki = 985.0 nM 445.47 Cc1onc(-c2ccc(F)cc2)c1COc1ccc(C(=O)N2CCS(=O)(=O)CC2)cn1 Homo sapiens CHEMBL4403718 single protein format
CHEMBL461925 OBDepict Cl O S H 2 N IC50 = 1000.0 nM 287.77 Nc1c(C(=O)c2ccc(Cl)cc2)sc2ccccc12 Homo sapiens CHEMBL991888 cell-based format