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P47869 | GBRA2_HUMAN | Gamma-aminobutyric acid receptor subunit alpha-2 (GABRA2)

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
CHEMBL44533 OBDepict H 3 C N S O N N Ki = 0.3 nM 385.49 Cc1csc(-c2cc(-c3ccccc3)c3n(c2=O)CCCc2ccncc2-3)n1 Homo sapiens CHEMBL678890 cell-based format
CHEMBL1783282 OBDepict CH 3 NH O N N NH 2 F O H 3 C Ki = 0.3 nM 354.39 CCCNC(=O)c1nnc2c(-c3c(F)cccc3OC)cccc2c1N Homo sapiens CHEMBL4403717 single protein format
CHEMBL306422 OBDepict CH 3 N N N O N N N N N O H 3 C Ki = 0.58 nM 362.35 Cc1cc(-c2nnc3c4ccccc4c(OCc4cn(C)nn4)nn23)no1 Homo sapiens CHEMBL4403717 single protein format
CHEMBL45198 OBDepict H 3 C N S O N N N Ki = 0.6 nM 386.48 Cc1csc(-c2cc(-c3ccncc3)c3n(c2=O)CCCc2ccncc2-3)n1 Homo sapiens CHEMBL2327955 single protein format
CHEMBL373250 OBDepict F F N N N N O H 3 C H 3 C CH 3 N N CH 3 N Ki = 0.7 nM 399.41 Cn1ncnc1COc1nn2c(-c3cc(F)ccc3F)nnc2cc1C(C)(C)C Homo sapiens CHEMBL2327955 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 CHEMBL2327955 single protein format
CHEMBL1681887 OBDepict Cl O N N N F IC50 = 2.0 nM 403.84 Fc1ccccc1-n1nc2c(cnc3ccccc32)c1OCc1ccccc1Cl Homo sapiens CHEMBL1687498 cell-based format
CHEMBL204696 OBDepict N F F N N N N HO CH 3 CH 3 Ki = 2.0 nM 391.38 CC(C)(O)c1cnn2c(-c3ccc(F)c(-c4c(F)cccc4C#N)c3)cnc2n1 Homo sapiens CHEMBL4403717 single protein format
CHEMBL3647536 OBDepict CH 3 O S O O CH 3 F N N N N CH 3 Ki < 2.47 nM 440.5 CCn1cnc2c(-c3ccc(F)c(-c4ccc(S(=O)(=O)CC)cc4OC)c3)cnnc21 Homo sapiens CHEMBL3706142 cell-based format
CHEMBL20042 OBDepict Cl N N O N IC50 = 4.0 nM 295.73 O=C1C2C=Nc3ccccc3C2=NN1c1ccc(Cl)cc1 Homo sapiens CHEMBL1687498 cell-based format
CHEMBL1783256 OBDepict H 3 C HN O N N H 2 N O O CH 3 CH 3 Ki = 5.0 nM 366.42 CCCNC(=O)c1nnc2c(-c3cc(OC)ccc3OC)cccc2c1N Homo sapiens CHEMBL4403717 single protein format
CHEMBL3647535 OBDepict CH 3 N N N N F S O O NH 2 Ki = 5.08 nM 397.44 CCn1cnc2c(-c3ccc(F)c(-c4ccc(S(N)(=O)=O)cc4)c3)cnnc21 Homo sapiens CHEMBL3706142 cell-based format
CHEMBL3647548 OBDepict F N N S N N O O NH 2 H 3 C CH 3 Ki = 5.82 nM 411.46 CC(C)n1cnc2c(-c3ccc(F)c(-c4ccc(S(N)(=O)=O)cc4)c3)cnnc21 Homo sapiens CHEMBL3706142 cell-based format
CHEMBL3647561 OBDepict CH 3 N N N N F S NH O O H 3 C Ki = 7.45 nM 411.46 CCn1cnc2c(-c3ccc(F)c(-c4ccc(S(=O)(=O)NC)cc4)c3)cnnc21 Homo sapiens CHEMBL3706142 cell-based format
CHEMBL3647565 OBDepict CH 3 O S O O CH 3 F N N N N CH 3 Ki = 7.48 nM 426.47 CCn1cnc2c(-c3ccc(F)c(-c4ccc(S(C)(=O)=O)cc4OC)c3)cnnc21 Homo sapiens CHEMBL3706142 cell-based format
CHEMBL3647579 OBDepict H 3 C O S O O CH 3 F N N N N CH 3 H 3 C Ki = 8.56 nM 440.5 COc1cc(S(C)(=O)=O)ccc1-c1cc(-c2cnnc3c2ncn3C(C)C)ccc1F Homo sapiens CHEMBL3706142 cell-based format
CHEMBL3647538 OBDepict CH 3 O S O O F N N N N CH 3 Ki = 9.51 nM 466.54 CCn1cnc2c(-c3ccc(F)c(-c4ccc(S(=O)(=O)C5CCC5)cc4OC)c3)cnnc21 Homo sapiens CHEMBL3706142 cell-based format
CHEMBL3647539 OBDepict H 3 C O S O O F N N N N H 3 C Ki = 9.71 nM 452.51 CCn1cnc2c(-c3ccc(F)c(-c4ccc(S(=O)(=O)C5CC5)cc4OC)c3)cnnc21 Homo sapiens CHEMBL3706142 cell-based format
CHEMBL3647534 OBDepict CH 3 N N N N F F S O O CH 3 Ki = 10.9 nM 414.44 CCn1cnc2c(-c3ccc(F)c(-c4ccc(S(C)(=O)=O)cc4F)c3)cnnc21 Homo sapiens CHEMBL3706142 cell-based format
CHEMBL3647566 OBDepict CH 3 O S O O CH 3 H 3 C F N N N N CH 3 Ki = 11.7 nM 454.53 CCn1cnc2c(-c3ccc(F)c(-c4ccc(S(=O)(=O)C(C)C)cc4OC)c3)cnnc21 Homo sapiens CHEMBL3706142 cell-based format
CHEMBL3647581 OBDepict CH 3 O S O O H 3 C F N N N N H 3 C CH 3 Ki = 14.0 nM 454.53 CCS(=O)(=O)c1ccc(-c2cc(-c3cnnc4c3ncn4C(C)C)ccc2F)c(OC)c1 Homo sapiens CHEMBL3706142 cell-based format
CHEMBL3647580 OBDepict CH 3 S O O Cl F N N N N H 3 C CH 3 Ki = 14.4 nM 458.95 CCS(=O)(=O)c1ccc(-c2cc(-c3cnnc4c3ncn4C(C)C)ccc2F)c(Cl)c1 Homo sapiens CHEMBL3706142 cell-based format
CHEMBL3647549 OBDepict CH 3 HN S O O F N N N N H 3 C CH 3 Ki = 16.4 nM 425.49 CNS(=O)(=O)c1ccc(-c2cc(-c3cnnc4c3ncn4C(C)C)ccc2F)cc1 Homo sapiens CHEMBL3706142 cell-based format
CHEMBL12 OBDepict Cl N N CH 3 O Ki = 17.0 nM 284.75 CN1C(=O)CN=C(c2ccccc2)c2cc(Cl)ccc21 Homo sapiens CHEMBL4403717 single protein format
CHEMBL3647562 OBDepict CH 3 N N N N F S O O CH 3 Ki = 17.7 nM 396.45 CCn1cnc2c(-c3ccc(F)c(-c4ccc(S(C)(=O)=O)cc4)c3)cnnc21 Homo sapiens CHEMBL3706142 cell-based format
CHEMBL3647568 OBDepict CH 3 N N N N F F S O O H 3 C Ki = 18.2 nM 428.46 CCn1cnc2c(-c3ccc(F)c(-c4ccc(S(=O)(=O)CC)cc4F)c3)cnnc21 Homo sapiens CHEMBL3706142 cell-based format
CHEMBL3647571 OBDepict CH 3 HN S O O F N N N N Ki = 19.0 nM 423.47 CNS(=O)(=O)c1ccc(-c2cc(-c3cnnc4c3ncn4C3CC3)ccc2F)cc1 Homo sapiens CHEMBL3706142 cell-based format
CHEMBL3647578 OBDepict H 3 C O S O O CH 3 H 3 C F N N N N CH 3 H 3 C Ki = 19.1 nM 468.55 COc1cc(S(=O)(=O)C(C)C)ccc1-c1cc(-c2cnnc3c2ncn3C(C)C)ccc1F Homo sapiens CHEMBL3706142 cell-based format
CHEMBL3647559 OBDepict CH 3 N N N N F S O O H 3 C Ki = 21.7 nM 410.47 CCn1cnc2c(-c3ccc(F)c(-c4ccc(S(=O)(=O)CC)cc4)c3)cnnc21 Homo sapiens CHEMBL3706142 cell-based format
CHEMBL3647547 OBDepict CH 3 S O O F N N N N H 3 C CH 3 Ki = 23.9 nM 424.5 CCS(=O)(=O)c1ccc(-c2cc(-c3cnnc4c3ncn4C(C)C)ccc2F)cc1 Homo sapiens CHEMBL3706142 cell-based format
CHEMBL1077391 OBDepict Cl N N N N N Cl Ki = 24.0 nM 292.13 Clc1ccc2c(c1)-c1ncnn1Cc1c(Cl)ncn1-2 Homo sapiens CHEMBL4403717 single protein format
CHEMBL178942 OBDepict N O N N N N Ki = 26.0 nM 383.45 c1ccc(-c2nnc3c4c(c(OCc5ccccn5)nn23)C2CCC4CC2)cc1 Homo sapiens CHEMBL4403717 single protein format
CHEMBL52030 OBDepict CH 3 O O N N H N O O CH 3 Ki = 27.0 nM 341.37 CCOC(=O)c1ncn2c1[C@@H]1CCCN1C(=O)c1cc(OC)ccc1-2 Homo sapiens CHEMBL2327955 single protein format
CHEMBL3647582 OBDepict N S O O H 3 C F N N N N H 3 C CH 3 Ki = 29.1 nM 449.51 CCS(=O)(=O)c1ccc(-c2cc(-c3cnnc4c3ncn4C(C)C)ccc2F)c(C#N)c1 Homo sapiens CHEMBL3706142 cell-based format
CHEMBL3647555 OBDepict CH 3 O S O O CH 3 Cl N N N N CH 3 Ki = 29.7 nM 456.96 CCn1cnc2c(-c3ccc(Cl)c(-c4ccc(S(=O)(=O)CC)cc4OC)c3)cnnc21 Homo sapiens CHEMBL3706142 cell-based format
CHEMBL3647533 OBDepict CH 3 N N N N F S O O CH 3 H 3 C Ki = 31.1 nM 424.5 CCn1cnc2c(-c3ccc(F)c(-c4ccc(S(=O)(=O)C(C)C)cc4)c3)cnnc21 Homo sapiens CHEMBL3706142 cell-based format
CHEMBL3647541 OBDepict CH 3 S O O F N N N N Ki = 31.1 nM 422.49 CCS(=O)(=O)c1ccc(-c2cc(-c3cnnc4c3ncn4C3CC3)ccc2F)cc1 Homo sapiens CHEMBL3706142 cell-based format
CHEMBL4581355 OBDepict CH 3 N N N N H F N CH 3 N Ki = 32.0 nM 376.44 Cc1c(F)c(Nc2ccc(-c3cn(C)cn3)cn2)cc2c1ncn2CC1CC1 Homo sapiens CHEMBL4403717 single protein format
CHEMBL3647550 OBDepict CH 3 S O O F F N N N N H 3 C CH 3 Ki = 34.5 nM 442.49 CCS(=O)(=O)c1ccc(-c2cc(-c3cnnc4c3ncn4C(C)C)ccc2F)c(F)c1 Homo sapiens CHEMBL3706142 cell-based format
CHEMBL3647543 OBDepict CH 3 S O O F N N N N H 3 C Ki = 34.8 nM 436.51 CCS(=O)(=O)c1ccc(-c2cc(-c3cnnc4c3ncn4C3(C)CC3)ccc2F)cc1 Homo sapiens CHEMBL3706142 cell-based format
CHEMBL3647567 OBDepict CH 3 N N N N F F F S O O H 3 C Ki = 35.4 nM 460.48 CCn1cnc2c(-c3ccc(F)c(-c4ccc(S(=O)(=O)CC)cc4C(F)F)c3)cnnc21 Homo sapiens CHEMBL3706142 cell-based format
CHEMBL3647575 OBDepict H 3 C O S O O CH 3 F N N N N Ki = 37.1 nM 438.48 COc1cc(S(C)(=O)=O)ccc1-c1cc(-c2cnnc3c2ncn3C2CC2)ccc1F Homo sapiens CHEMBL3706142 cell-based format
CHEMBL3647551 OBDepict N S O O CH 3 H 3 C F N N N N CH 3 H 3 C Ki = 38.8 nM 463.54 CC(C)n1cnc2c(-c3ccc(F)c(-c4ccc(S(=O)(=O)C(C)C)cc4C#N)c3)cnnc21 Homo sapiens CHEMBL3706142 cell-based format
CHEMBL3647564 OBDepict N S O O H 3 C F N N N N CH 3 Ki = 39.2 nM 435.48 CCn1cnc2c(-c3ccc(F)c(-c4ccc(S(=O)(=O)CC)cc4C#N)c3)cnnc21 Homo sapiens CHEMBL3706142 cell-based format
CHEMBL3647574 OBDepict H 3 C O S O O CH 3 H 3 C F N N N N Ki = 40.5 nM 466.54 COc1cc(S(=O)(=O)C(C)C)ccc1-c1cc(-c2cnnc3c2ncn3C2CC2)ccc1F Homo sapiens CHEMBL3706142 cell-based format
CHEMBL3647557 OBDepict H 3 C O S O O H 3 C + N _ C N N N N CH 3 Ki = 40.6 nM 447.52 [C-]#[N+]c1ccc(-c2cnnc3c2ncn3CC)cc1-c1ccc(S(=O)(=O)CC)cc1OC Homo sapiens CHEMBL3706142 cell-based format
CHEMBL3647572 OBDepict F N N S N N O O CH 3 Ki = 43.3 nM 408.46 CS(=O)(=O)c1ccc(-c2cc(-c3cnnc4c3ncn4C3CC3)ccc2F)cc1 Homo sapiens CHEMBL3706142 cell-based format
CHEMBL3647569 OBDepict CH 3 N N N N S O O CH 3 Ki = 56.0 nM 378.46 CCn1cnc2c(-c3cccc(-c4ccc(S(C)(=O)=O)cc4)c3)cnnc21 Homo sapiens CHEMBL3706142 cell-based format
CHEMBL1681897 OBDepict F O N N N Cl IC50 = 57.0 nM 407.88 Fc1ccc(COc2c3cnc4c(c3nn2-c2ccc(Cl)cc2)CCCC4)cc1 Homo sapiens CHEMBL1687498 cell-based format
CHEMBL3647563 OBDepict CH 3 N N N N F F S O O CH 3 H 3 C Ki = 61.3 nM 442.49 CCn1cnc2c(-c3ccc(F)c(-c4ccc(S(=O)(=O)C(C)C)cc4F)c3)cnnc21 Homo sapiens CHEMBL3706142 cell-based format
CHEMBL3647573 OBDepict CH 3 S O O F F N N N N Ki = 67.8 nM 440.48 CCS(=O)(=O)c1ccc(-c2cc(-c3cnnc4c3ncn4C3CC3)ccc2F)c(F)c1 Homo sapiens CHEMBL3706142 cell-based format
CHEMBL3647560 OBDepict CH 3 N N N N F S O O H 3 C Ki = 69.5 nM 422.49 CCn1cnc2c(-c3ccc(F)c(-c4ccc5c(c4)CC(C)S5(=O)=O)c3)cnnc21 Homo sapiens CHEMBL3706142 cell-based format
CHEMBL3647544 OBDepict CH 3 S O O F N N N N Ki = 74.3 nM 436.51 CCS(=O)(=O)c1ccc(-c2cc(-c3cnnc4c3ncn4C3CCC3)ccc2F)cc1 Homo sapiens CHEMBL3706142 cell-based format
CHEMBL3647577 OBDepict F F N N S N N O O CH 3 H 3 C H 3 C CH 3 Ki = 87.4 nM 456.52 CC(C)n1cnc2c(-c3ccc(F)c(-c4ccc(S(=O)(=O)C(C)C)cc4F)c3)cnnc21 Homo sapiens CHEMBL3706142 cell-based format
CHEMBL3647552 OBDepict H 3 C O S O O NH 2 F N N N N Ki = 91.4 nM 467.53 COc1cc(S(N)(=O)=O)ccc1-c1cc(-c2cnnc3c2ncn3C2CCCC2)ccc1F Homo sapiens CHEMBL3706142 cell-based format
CHEMBL3647558 OBDepict CH 3 O S O O CH 3 HO N N N N CH 3 Ki = 92.2 nM 438.51 CCn1cnc2c(-c3ccc(O)c(-c4ccc(S(=O)(=O)CC)cc4OC)c3)cnnc21 Homo sapiens CHEMBL3706142 cell-based format
CHEMBL3647545 OBDepict H 3 C O S O O CH 3 F N N N N Ki = 101.0 nM 452.51 COc1cc(S(C)(=O)=O)ccc1-c1cc(-c2cnnc3c2ncn3C2CCC2)ccc1F Homo sapiens CHEMBL3706142 cell-based format
CHEMBL3647570 OBDepict CH 3 N N N N S O O Ki = 102.0 nM 390.47 CCn1cnc2c(-c3cccc(-c4ccc5c(c4)CCS5(=O)=O)c3)cnnc21 Homo sapiens CHEMBL3706142 cell-based format
CHEMBL3647537 OBDepict N S O O CH 3 H 3 C F N N N N CH 3 Ki = 108.0 nM 449.51 CCn1cnc2c(-c3ccc(F)c(-c4ccc(S(=O)(=O)C(C)C)cc4C#N)c3)cnnc21 Homo sapiens CHEMBL3706142 cell-based format
CHEMBL3647553 OBDepict H 3 C O S O O H 3 C F N N N N Ki = 118.0 nM 480.57 CCS(=O)(=O)c1ccc(-c2cc(-c3cnnc4c3ncn4C3CCCC3)ccc2F)c(OC)c1 Homo sapiens CHEMBL3706142 cell-based format
CHEMBL3647546 OBDepict CH 3 N N N N F S O O H 3 C Ki = 120.0 nM 424.5 CCCn1cnc2c(-c3ccc(F)c(-c4ccc(S(=O)(=O)CC)cc4)c3)cnnc21 Homo sapiens CHEMBL3706142 cell-based format
CHEMBL3647542 OBDepict CH 3 S O O F F N N N N Ki = 147.0 nM 454.5 CCS(=O)(=O)c1ccc(-c2cc(-c3cnnc4c3ncn4C3CCC3)ccc2F)c(F)c1 Homo sapiens CHEMBL3706142 cell-based format
CHEMBL1681895 OBDepict Cl N N O N F IC50 = 154.0 nM 407.88 Fc1ccccc1COc1c2cnc3c(c2nn1-c1ccc(Cl)cc1)CCCC3 Homo sapiens CHEMBL1687498 cell-based format
CHEMBL1681888 OBDepict Cl O N N N O O IC50 = 155.0 nM 429.86 Clc1ccccc1COc1c2cnc3ccccc3c2nn1-c1ccc2c(c1)OCO2 Homo sapiens CHEMBL1687498 cell-based format
CHEMBL3647576 OBDepict N S O O CH 3 F N N N N Ki = 170.0 nM 447.5 CCS(=O)(=O)c1ccc(-c2cc(-c3cnnc4c3ncn4C3CC3)ccc2F)c(C#N)c1 Homo sapiens CHEMBL3706142 cell-based format
CHEMBL1681894 OBDepict Cl O N N N Cl IC50 = 177.0 nM 424.33 Clc1ccc(COc2c3cnc4c(c3nn2-c2ccc(Cl)cc2)CCCC4)cc1 Homo sapiens CHEMBL1687498 cell-based format
CHEMBL45346 OBDepict CH 3 O N N N H 3 C O Cl Ki = 180.0 nM 291.74 COCc1ncn2c1CN(C)C(=O)c1cc(Cl)ccc1-2 Homo sapiens CHEMBL4403717 single protein format
CHEMBL1080588 OBDepict Br N N N N N F F Ki = 185.0 nM 352.14 FC(F)c1ncn2c1Cn1ncnc1-c1cc(Br)ccc1-2 Homo sapiens CHEMBL4403717 single protein format
CHEMBL1681900 OBDepict Cl N N O N IC50 = 185.0 nM 353.85 Clc1ccc(-n2nc3c4c(ncc3c2OCC2CC2)CCCC4)cc1 Homo sapiens CHEMBL1687498 cell-based format
CHEMBL1681892 OBDepict Cl N N O N H 3 C H 3 C Cl IC50 = 213.0 nM 452.39 CC1(C)CCc2ncc3c(OCc4ccccc4Cl)n(-c4ccc(Cl)cc4)nc3c2C1 Homo sapiens CHEMBL1687498 cell-based format
CHEMBL1681886 OBDepict Cl N N O N Cl IC50 = 265.0 nM 420.3 Clc1ccc(-n2nc3c(cnc4ccccc43)c2OCc2ccccc2Cl)cc1 Homo sapiens CHEMBL1687498 cell-based format
CHEMBL1681889 OBDepict Cl N N O N Cl IC50 = 271.0 nM 424.33 Clc1ccc(-n2nc3c4c(ncc3c2OCc2ccccc2Cl)CCCC4)cc1 Homo sapiens CHEMBL1687498 cell-based format
CHEMBL3647540 OBDepict N S O O H 3 C CH 3 F N N N N Ki = 296.0 nM 461.52 CC(C)S(=O)(=O)c1ccc(-c2cc(-c3cnnc4c3ncn4C3CC3)ccc2F)c(C#N)c1 Homo sapiens CHEMBL3706142 cell-based format
CHEMBL4228824 OBDepict CH 3 HN O N N H CH 3 N F HC Ki = 360.0 nM 372.4 C#Cc1ccc2c(c1)C(c1ccccc1F)=N[C@H](C)c1c(C(=O)NC)ncn1-2 Homo sapiens CHEMBL4403717 single protein format
CHEMBL1681891 OBDepict Cl N N O N O Cl IC50 = 461.0 nM 426.3 Clc1ccc(-n2nc3c4c(ncc3c2OCc2ccccc2Cl)CCOC4)cc1 Homo sapiens CHEMBL1687498 cell-based format
CHEMBL1681885 OBDepict Cl N N O N IC50 = 472.0 nM 349.82 Clc1ccc(-n2nc3c(cnc4ccccc43)c2OCC2CC2)cc1 Homo sapiens CHEMBL1687498 cell-based format
CHEMBL3681419 OBDepict F N O O CH 3 N N O S O O Ki = 502.0 nM 445.47 Cc1onc(-c2ccc(F)cc2)c1COc1ccc(C(=O)N2CCS(=O)(=O)CC2)cn1 Homo sapiens CHEMBL4403717 single protein format
CHEMBL1681890 OBDepict Cl N N O N Cl IC50 = 605.0 nM 438.36 Clc1ccc(-n2nc3c4c(ncc3c2OCc2ccccc2Cl)CCCCC4)cc1 Homo sapiens CHEMBL1687498 cell-based format
CHEMBL3647554 OBDepict OH F N N S N N O O H 3 C CH 3 Ki = 678.0 nM 440.5 CCn1cnc2c(-c3ccc(CO)c(-c4ccc(S(=O)(=O)CC)cc4F)c3)cnnc21 Homo sapiens CHEMBL3706142 cell-based format
CHEMBL4553352 OBDepict CH N N N H CH 3 F N H O Ki = 789.0 nM 398.44 C#Cc1ccc2c(c1)C(c1ccccc1F)=N[C@H](C)c1c(C(=O)NC3CC3)ncn1-2 Homo sapiens CHEMBL4403717 single protein format
CHEMBL4537371 OBDepict H 3 C O O N N N N CH Ki = 1000.0 nM 342.36 C#Cc1ccc2c(c1)C(c1ccccn1)=NCc1c(C(=O)OC)ncn1-2 Homo sapiens CHEMBL4403717 single protein format