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Q14416 | GRM2_HUMAN | Metabotropic glutamate receptor 2 (GRM2)

3D structures mapped by conservation among orthologs

[ Domain: "Periplasmic binding protein-like I" // ANF_receptor_2nd_1 ]

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[ Domain: "TNF receptor-like" // NCD3G ]

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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
CHEMBL186453 OBDepict Cl Cl O H H 2 N H O OH H F O OH Ki = 2.2 nM 378.18 N[C@@]1(C(=O)O)[C@H](OCc2ccc(Cl)c(Cl)c2)C[C@@H]2[C@H]1[C@@]2(F)C(=O)O Homo sapiens CHEMBL2182980 single protein format
CHEMBL409928 OBDepict OH O H 2 N H F O OH O IC50 = 3.49 nM 371.36 N[C@](CC1c2ccccc2Oc2ccccc21)(C(=O)O)[C@H]1C[C@]1(F)C(=O)O Homo sapiens CHEMBL929194 cell-based format
CHEMBL3945590 OBDepict CH 3 O F N O NH 2 N N CH 3 IC50 = 4.0 nM 416.46 COc1ccc(-c2cc(C(N)=O)nc3cc(CCc4cnc(C)nc4)ccc23)cc1F Homo sapiens CHEMBL3888122 cell-based format
CHEMBL432038 OBDepict OH O H H NH 2 O OH O Ki = 4.3 nM 353.37 N[C@](CC1c2ccccc2Oc2ccccc21)(C(=O)O)[C@H]1C[C@@H]1C(=O)O Homo sapiens CHEMBL4719947 cell membrane format
CHEMBL218710 OBDepict OH O H 2 N + S H _ O H H O OH Ki = 4.4 nM 219.22 N[C@@]1(C(=O)O)C[S+]([O-])[C@H]2[C@H](C(=O)O)[C@H]21 Homo sapiens CHEMBL910519 cell-based format
CHEMBL259435 OBDepict OH O H 2 N F O OH O IC50 = 4.45 nM 371.36 NC(CC1c2ccccc2Oc2ccccc21)(C(=O)O)C1CC1(F)C(=O)O Homo sapiens CHEMBL929194 cell-based format
CHEMBL3971388 OBDepict CH 3 N O NH 2 N O O IC50 = 5.0 nM 373.41 Cc1ccc(-c2cc(C(N)=O)nc3cc(CN4C(=O)CCC4=O)ccc23)cc1 Homo sapiens CHEMBL3888122 cell-based format
CHEMBL3923126 OBDepict CH 3 O F F N O NH 2 N N CH 3 IC50 = 5.0 nM 434.45 COc1cc(F)c(-c2cc(C(N)=O)nc3cc(CCc4cnc(C)nc4)ccc23)c(F)c1 Homo sapiens CHEMBL3888122 cell-based format
CHEMBL3964644 OBDepict F N O H 2 N OH N IC50 = 5.0 nM 387.41 NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(C(O)Cc3cccnc3)cc2n1 Homo sapiens CHEMBL3888122 cell-based format
CHEMBL4759992 OBDepict H N N N S H H H H H S NH 2 O HO O HO CH 3 F ClH Ki = 5.2 nM 474.97 Cc1cc(SC[C@@H]2[C@@H](Sc3nc[nH]n3)[C@H]3[C@H](C(=O)O)[C@H]3[C@]2(N)C(=O)O)ccc1F.Cl Homo sapiens CHEMBL4719947 cell membrane format
CHEMBL4751065 OBDepict F F S H H 2 N H HO O OH H H H O OH ClH Ki = 5.3 nM 395.81 Cl.N[C@@]1(C(=O)O)[C@H](CSc2ccc(F)c(F)c2)[C@@H](O)[C@@H]2[C@H]1[C@H]2C(=O)O Homo sapiens CHEMBL4719947 cell membrane format
CHEMBL2206447 OBDepict H 3 C O F F N Cl N N N IC50 = 5.6 nM 432.9 COc1cc(F)cc(F)c1C1CCN(c2ccn3c(CC4CC4)nnc3c2Cl)CC1 Homo sapiens CHEMBL2215921 cell-based format
CHEMBL3983863 OBDepict CH 3 N N N O NH 2 N F F F IC50 = 6.0 nM 411.39 Cn1cc(-c2cc(C(N)=O)nc3cc(Cc4ccnc(C(F)(F)F)c4)ccc23)cn1 Homo sapiens CHEMBL3888122 cell-based format
CHEMBL3955188 OBDepict CH 3 O F N O NH 2 N N CH 3 IC50 = 6.0 nM 416.46 COc1ccc(-c2cc(C(N)=O)nc3cc(CCc4cnc(C)nc4)ccc23)c(F)c1 Homo sapiens CHEMBL3888122 cell-based format
CHEMBL3941863 OBDepict CH 3 O F N O NH 2 N N N IC50 = 6.0 nM 427.44 COc1ccc(-c2cc(C(N)=O)nc3cc(CCc4cnc(C#N)nc4)ccc23)c(F)c1 Homo sapiens CHEMBL3888122 cell-based format
CHEMBL3950572 OBDepict F N O H 2 N N N IC50 = 7.0 nM 372.4 NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CCc3cncnc3)cc2n1 Homo sapiens CHEMBL3888122 cell-based format
CHEMBL3937970 OBDepict CH 3 O N O NH 2 N N N IC50 = 7.0 nM 409.45 COc1ccc(-c2cc(C(N)=O)nc3cc(CCc4cnc(C#N)nc4)ccc23)cc1 Homo sapiens CHEMBL3888122 cell-based format
CHEMBL3973721 OBDepict CH 3 O F N O NH 2 H 3 C N N H 3 C IC50 = 7.0 nM 430.48 COc1ccc(-c2cc(C(N)=O)nc3cc(C(C)Cc4cnc(C)nc4)ccc23)c(F)c1 Homo sapiens CHEMBL3888122 cell-based format
CHEMBL3958138 OBDepict CH 3 N O NH 2 N O O IC50 = 7.0 nM 377.44 CC1CC=C(c2cc(C(N)=O)nc3cc(CN4C(=O)CCC4=O)ccc23)CC1 Homo sapiens CHEMBL3888122 cell-based format
CHEMBL3925177 OBDepict CH 3 O N O NH 2 N H 2 N N IC50 = 7.0 nM 399.45 COc1ccc(-c2cc(C(N)=O)nc3cc(CCc4cncnc4N)ccc23)cc1 Homo sapiens CHEMBL3888122 cell-based format
CHEMBL3961599 OBDepict Cl N F F F N O H 2 N N N CH 3 IC50 = 7.0 nM 445.83 Cn1cc(-c2cc(C(N)=O)nc3cc(Cc4cc(Cl)nc(C(F)(F)F)c4)ccc23)cn1 Homo sapiens CHEMBL3888122 cell-based format
CHEMBL8759 OBDepict OH O H 2 N H H H O OH IC50 = 7.0 nM 185.18 N[C@@]1(C(=O)O)CC[C@H]2[C@H](C(=O)O)[C@H]21 Homo sapiens CHEMBL4719943 single protein format
CHEMBL2206446 OBDepict H 3 C O F F N Cl N N N IC50 = 7.3 nM 432.9 COc1ccc(F)c(F)c1C1CCN(c2ccn3c(CC4CC4)nnc3c2Cl)CC1 Homo sapiens CHEMBL2215921 cell-based format
CHEMBL3969063 OBDepict H N N N S H H H O H H H 2 N O OH O OH Cl Cl Ki = 7.43 nM 459.31 N[C@@]1(C(=O)O)[C@H](OCc2ccc(Cl)c(Cl)c2)[C@@H](Sc2nc[nH]n2)[C@H]2[C@H](C(=O)O)[C@H]21 Homo sapiens CHEMBL3869549 cell-based format
CHEMBL4108673 OBDepict CH 3 N N CH 3 N O NH 2 N H H 3 C O H F F F IC50 = 8.0 nM 447.46 Cc1nn(C)cc1-c1cc(C(N)=O)nc2cc(CN3C[C@@H](C)O[C@@H](C(F)(F)F)C3)ccc12 Homo sapiens CHEMBL3888122 cell-based format
CHEMBL3912615 OBDepict CH 3 N N N O H 2 N N H CH 3 H O F F F IC50 = 8.0 nM 433.43 C[C@H]1CO[C@@H](C(F)(F)F)CN1Cc1ccc2c(-c3cnn(C)c3)cc(C(N)=O)nc2c1 Homo sapiens CHEMBL3888122 cell-based format
CHEMBL4106729 OBDepict CH 3 N N N O NH 2 N CH 3 CH 3 H O F F F IC50 = 8.0 nM 447.46 Cn1cc(-c2cc(C(N)=O)nc3cc(CN4C[C@H](C(F)(F)F)OCC4(C)C)ccc23)cn1 Homo sapiens CHEMBL3888122 cell-based format
CHEMBL3939455 OBDepict CH 3 O F N O NH 2 H 3 C N IC50 = 8.0 nM 415.47 COc1ccc(-c2cc(C(N)=O)nc3cc(C(C)Cc4cccnc4)ccc23)c(F)c1 Homo sapiens CHEMBL3888122 cell-based format
CHEMBL4110317 OBDepict CH 3 N N N O H 2 N N H CH 3 H O F F F IC50 = 8.0 nM 433.43 C[C@@H]1CO[C@@H](C(F)(F)F)CN1Cc1ccc2c(-c3cnn(C)c3)cc(C(N)=O)nc2c1 Homo sapiens CHEMBL3888122 cell-based format
CHEMBL3894283 OBDepict H 3 C O F N O H 2 N N O O IC50 = 8.0 nM 407.4 COc1ccc(-c2cc(C(N)=O)nc3cc(CN4C(=O)CCC4=O)ccc23)c(F)c1 Homo sapiens CHEMBL3888122 cell-based format
CHEMBL3959134 OBDepict CH 3 HO F F F N N F N O H 2 N F O H 3 C IC50 = 8.0 nM 520.46 CCC(O)(c1cn(Cc2ccc3c(-c4ccc(OC)cc4F)cc(C(N)=O)nc3c2F)cn1)C(F)(F)F Homo sapiens CHEMBL3888122 cell-based format
CHEMBL3971450 OBDepict CH 3 O N O NH 2 H 3 C N N N IC50 = 8.0 nM 423.48 COc1ccc(-c2cc(C(N)=O)nc3cc(C(C)Cc4cnc(C#N)nc4)ccc23)cc1 Homo sapiens CHEMBL3888122 cell-based format
CHEMBL3937038 OBDepict OH N N O NH 2 F IC50 = 8.0 nM 387.41 NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(Cc3ccnc(CO)c3)cc2n1 Homo sapiens CHEMBL3888122 cell-based format
CHEMBL4748699 OBDepict Cl Cl S H H 2 N H HO O OH H H H O OH ClH Ki = 8.4 nM 428.72 Cl.N[C@@]1(C(=O)O)[C@H](CSc2ccc(Cl)c(Cl)c2)[C@@H](O)[C@@H]2[C@H]1[C@H]2C(=O)O Homo sapiens CHEMBL4719947 cell membrane format
CHEMBL3616856 OBDepict H N N S N F F F H H H 2 N H H O HO O OH Ki = 8.55 nM 352.29 N[C@@]1(C(=O)O)C[C@H](Sc2nnc(C(F)(F)F)[nH]2)[C@H]2[C@H](C(=O)O)[C@H]21 Homo sapiens CHEMBL3619269 cell-based format
CHEMBL2381642 OBDepict OH O H 2 N H H OH H H O OH IC50 = 8.6 nM 201.18 N[C@@]1(C(=O)O)C[C@@H](O)[C@@H]2[C@H]1[C@H]2C(=O)O Homo sapiens CHEMBL4719943 single protein format
CHEMBL4780402 OBDepict CH 3 F S H NH 2 H OH O HO H H H O OH ClH Ki = 8.9 nM 391.85 Cc1cc(SC[C@@H]2[C@@H](O)[C@@H]3[C@@H]([C@H]3C(=O)O)[C@]2(N)C(=O)O)ccc1F.Cl Homo sapiens CHEMBL4719947 cell membrane format
CHEMBL3985872 OBDepict CH 3 N S N O NH 2 N O F F F IC50 = 9.0 nM 436.46 Cc1ncc(-c2cc(C(N)=O)nc3cc(CN4CCOC(C(F)(F)F)C4)ccc23)s1 Homo sapiens CHEMBL3888122 cell-based format
CHEMBL3892073 OBDepict F N O NH 2 N O O IC50 = 9.0 nM 377.38 NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3C(=O)CCC3=O)cc2n1 Homo sapiens CHEMBL3888122 cell-based format
CHEMBL3983820 OBDepict CH 3 O N O NH 2 H 2 N N IC50 = 9.0 nM 398.47 COc1ccc(-c2cc(C(N)=O)nc3cc(CCc4cccnc4N)ccc23)cc1 Homo sapiens CHEMBL3888122 cell-based format
CHEMBL4109555 OBDepict F N N N O H 2 N N O H F F F IC50 = 9.0 nM 437.4 NC(=O)c1cc(-c2cnn(CF)c2)c2ccc(CN3CCO[C@@H](C(F)(F)F)C3)cc2n1 Homo sapiens CHEMBL3888122 cell-based format
CHEMBL3954035 OBDepict CH 3 O F N O NH 2 H 2 N N IC50 = 9.0 nM 416.46 COc1ccc(-c2cc(C(N)=O)nc3cc(CCc4cccnc4N)ccc23)c(F)c1 Homo sapiens CHEMBL3888122 cell-based format
CHEMBL3903459 OBDepict F N O H 2 N N H CH 3 N H F F F IC50 = 9.0 nM 446.45 C[C@H]1CNC(C(F)(F)F)CN1Cc1ccc2c(-c3ccc(F)cc3)cc(C(N)=O)nc2c1 Homo sapiens CHEMBL3888122 cell-based format
CHEMBL4746125 OBDepict CH 3 HN O H H H H H S H 2 N O OH O OH H 3 C F ClH Ki = 9.2 nM 432.9 CC(=O)N[C@H]1[C@H]2[C@H](C(=O)O)[C@H]2[C@](N)(C(=O)O)[C@@H]1CSc1ccc(F)c(C)c1.Cl Homo sapiens CHEMBL4719947 cell membrane format
CHEMBL2206445 OBDepict CH 3 O F F N Cl N N N IC50 = 9.23 nM 432.9 COc1c(F)ccc(F)c1C1CCN(c2ccn3c(CC4CC4)nnc3c2Cl)CC1 Homo sapiens CHEMBL2215921 cell-based format
CHEMBL3922857 OBDepict F N O H 2 N OH H N Cl IC50 = 10.0 nM 421.86 NC(=O)c1cc(-c2ccc(F)cc2)c2ccc([C@@H](O)Cc3ccc(Cl)nc3)cc2n1 Homo sapiens CHEMBL3888122 cell-based format
CHEMBL3892899 OBDepict CH 3 HO F F F N N N O H 2 N O H 3 C IC50 = 10.0 nM 484.48 CCC(O)(c1cn(Cc2ccc3c(-c4ccc(OC)cc4)cc(C(N)=O)nc3c2)cn1)C(F)(F)F Homo sapiens CHEMBL3888122 cell-based format
CHEMBL4113710 OBDepict F N O H 2 N N H CH 3 N H F F F IC50 = 10.0 nM 446.45 C[C@@H]1CNC(C(F)(F)F)CN1Cc1ccc2c(-c3ccc(F)cc3)cc(C(N)=O)nc2c1 Homo sapiens CHEMBL3888122 cell-based format
CHEMBL3979547 OBDepict F N O H 2 N N IC50 = 10.0 nM 371.42 NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CCc3cccnc3)cc2n1 Homo sapiens CHEMBL3888122 cell-based format
CHEMBL3946016 OBDepict CH 3 O N O NH 2 H 3 C N IC50 = 10.0 nM 397.48 COc1ccc(-c2cc(C(N)=O)nc3cc(C(C)Cc4cccnc4)ccc23)cc1 Homo sapiens CHEMBL3888122 cell-based format
CHEMBL4637618 OBDepict H 3 C HO F F F N N N O H 2 N F IC50 = 10.0 nM 472.44 CC[C@@](O)(c1cnn(Cc2ccc3c(-c4ccc(F)cc4)cc(C(N)=O)nc3c2)c1)C(F)(F)F Homo sapiens CHEMBL4620114 single protein format
CHEMBL3935153 OBDepict CH 3 HO F F F N N F N O H 2 N F O H 3 C IC50 = 10.0 nM 520.46 CCC(O)(c1cn(Cc2ccc3c(-c4ccc(OC)c(F)c4)cc(C(N)=O)nc3c2F)cn1)C(F)(F)F Homo sapiens CHEMBL3888122 cell-based format
CHEMBL3953157 OBDepict H 3 C O N N N O H 2 N F IC50 = 10.0 nM 388.4 COc1ncc(Cc2ccc3c(-c4ccc(F)cc4)cc(C(N)=O)nc3c2)cn1 Homo sapiens CHEMBL3888122 cell-based format
CHEMBL3936681 OBDepict CH 3 O F N O NH 2 H 3 C N F IC50 = 10.0 nM 447.49 COc1ccc(-c2cc(C(N)=O)nc3cc(C(C)Cc4ccc(CF)nc4)ccc23)c(F)c1 Homo sapiens CHEMBL3888122 cell-based format
CHEMBL3925389 OBDepict H 3 C O N N F N O H 2 N F IC50 = 10.0 nM 406.39 COc1ncc(Cc2ccc3c(-c4ccc(F)cc4)cc(C(N)=O)nc3c2F)cn1 Homo sapiens CHEMBL3888122 cell-based format
CHEMBL3904730 OBDepict CH 3 O N O NH 2 H 3 C N F IC50 = 10.0 nM 429.5 COc1ccc(-c2cc(C(N)=O)nc3cc(C(C)Cc4ccc(CF)nc4)ccc23)cc1 Homo sapiens CHEMBL3888122 cell-based format
CHEMBL4776989 OBDepict F S H NH 2 H OH O HO H H H O OH ClH Ki = 10.4 nM 377.82 Cl.N[C@@]1(C(=O)O)[C@H](CSc2ccc(F)cc2)[C@@H](O)[C@@H]2[C@H]1[C@H]2C(=O)O Homo sapiens CHEMBL4719947 cell membrane format
CHEMBL3949371 OBDepict H 2 N O N N N N F F O F F F IC50 = 11.0 nM 455.39 NC(=O)c1cc(-c2cnn(C(F)F)c2)c2ccc(CN3CCOC(C(F)(F)F)C3)cc2n1 Homo sapiens CHEMBL3888122 cell-based format
CHEMBL4109697 OBDepict CH 3 N N N O NH 2 N CH 3 CH 3 O H F F F IC50 = 11.0 nM 447.46 Cn1cc(-c2cc(C(N)=O)nc3cc(CN4C[C@H](C(F)(F)F)OC(C)(C)C4)ccc23)cn1 Homo sapiens CHEMBL3888122 cell-based format
CHEMBL4111091 OBDepict CH 3 N N N O H 2 N N H CH 3 O H F F F IC50 = 11.0 nM 433.43 C[C@@H]1CN(Cc2ccc3c(-c4cnn(C)c4)cc(C(N)=O)nc3c2)C[C@H](C(F)(F)F)O1 Homo sapiens CHEMBL3888122 cell-based format
CHEMBL3959588 OBDepict CH 3 O F F N O NH 2 N N CH 3 IC50 = 11.0 nM 434.45 COc1c(F)cc(-c2cc(C(N)=O)nc3cc(CCc4cnc(C)nc4)ccc23)cc1F Homo sapiens CHEMBL3888122 cell-based format
CHEMBL2206441 OBDepict CH 3 O F N Cl N N N IC50 = 11.2 nM 414.91 COc1ccc(F)cc1C1CCN(c2ccn3c(CC4CC4)nnc3c2Cl)CC1 Homo sapiens CHEMBL2215921 cell-based format
CHEMBL2206442 OBDepict CH 3 O F N Cl N N N IC50 = 11.2 nM 414.91 COc1cccc(F)c1C1CCN(c2ccn3c(CC4CC4)nnc3c2Cl)CC1 Homo sapiens CHEMBL2215921 cell-based format
CHEMBL3892604 OBDepict CH 3 N N N O NH 2 N F F F IC50 = 12.0 nM 451.45 Cn1cc(-c2cc(C(N)=O)nc3cc(Cc4cc(C5CC5)nc(C(F)(F)F)c4)ccc23)cn1 Homo sapiens CHEMBL3888122 cell-based format
CHEMBL4109210 OBDepict CH 3 N N N O NH 2 N O H F F F IC50 = 12.0 nM 419.41 Cn1cc(-c2cc(C(N)=O)nc3cc(CN4CCO[C@@H](C(F)(F)F)C4)ccc23)cn1 Homo sapiens CHEMBL3888122 cell-based format
CHEMBL4642428 OBDepict CH 3 HO F F F N N N CH 3 N O H 2 N F IC50 = 12.0 nM 487.46 CC[C@@](O)(c1cn(C(C)c2ccc3c(-c4ccc(F)cc4)cc(C(N)=O)nc3c2)nn1)C(F)(F)F Homo sapiens CHEMBL4620114 single protein format
CHEMBL3966866 OBDepict CH 3 O N O NH 2 HO N Cl IC50 = 12.0 nM 433.9 COc1ccc(-c2cc(C(N)=O)nc3cc(C(O)Cc4ccc(Cl)nc4)ccc23)cc1 Homo sapiens CHEMBL3888122 cell-based format
CHEMBL3926942 OBDepict CH 3 O N O NH 2 H 3 C N H 3 C IC50 = 12.0 nM 411.51 COc1ccc(-c2cc(C(N)=O)nc3cc(C(C)Cc4ccc(C)nc4)ccc23)cc1 Homo sapiens CHEMBL3888122 cell-based format
CHEMBL3965606 OBDepict F Cl N O H 2 N N O O IC50 = 12.0 nM 411.82 NC(=O)c1cc(-c2ccc(F)cc2Cl)c2ccc(CN3C(=O)CCC3=O)cc2n1 Homo sapiens CHEMBL3888122 cell-based format
CHEMBL4640203 OBDepict CH 3 HO F F F N N N N O H 2 N F IC50 = 13.0 nM 473.43 CC[C@@](O)(c1cn(Cc2ccc3c(-c4ccc(F)cc4)cc(C(N)=O)nc3c2)nn1)C(F)(F)F Homo sapiens CHEMBL4620114 single protein format
CHEMBL3930893 OBDepict H 3 C N N N O H 2 N N S IC50 = 13.0 nM 407.54 Cn1cc(-c2cc(C(N)=O)nc3cc(CN4CCSC(C5CC5)C4)ccc23)cn1 Homo sapiens CHEMBL3888122 cell-based format
CHEMBL4114374 OBDepict CH 3 N S N O NH 2 N H H 3 C O H F F F IC50 = 13.0 nM 450.49 Cc1cc(-c2cc(C(N)=O)nc3cc(CN4C[C@@H](C)O[C@@H](C(F)(F)F)C4)ccc23)sn1 Homo sapiens CHEMBL3888122 cell-based format
CHEMBL3899261 OBDepict CH 3 N N N O NH 2 F N F F F IC50 = 13.0 nM 435.43 Cn1cc(-c2cc(C(N)=O)nc3c(F)c(CN4CCCC(C(F)(F)F)C4)ccc23)cn1 Homo sapiens CHEMBL3888122 cell-based format
CHEMBL3939827 OBDepict CH 3 O O N F N F O O IC50 = 13.0 nM 410.38 COC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3C(=O)CCC3=O)c(F)c2n1 Homo sapiens CHEMBL3888122 cell-based format
CHEMBL3897968 OBDepict CH 3 O F N O H 2 N N + N _ C IC50 = 13.0 nM 426.45 [C-]#[N+]c1ccc(CCc2ccc3c(-c4ccc(OC)cc4F)cc(C(N)=O)nc3c2)cn1 Homo sapiens CHEMBL3888122 cell-based format
CHEMBL4114497 OBDepict F N F N N O NH 2 N H CH 3 O H F F F IC50 = 13.0 nM 469.41 C[C@@H]1CN(Cc2ccc3c(-c4cnn(C(F)F)c4)cc(C(N)=O)nc3c2)C[C@H](C(F)(F)F)O1 Homo sapiens CHEMBL3888122 cell-based format
CHEMBL3941663 OBDepict N N N O H 2 N F IC50 = 13.0 nM 382.4 N#Cc1ccc(Cc2ccc3c(-c4ccc(F)cc4)cc(C(N)=O)nc3c2)cn1 Homo sapiens CHEMBL3888122 cell-based format
CHEMBL3616857 OBDepict F F N N N H S H H H 2 N H H O HO O OH Ki = 13.4 nM 334.3 N[C@@]1(C(=O)O)C[C@H](Sc2nnc(C(F)F)[nH]2)[C@H]2[C@H](C(=O)O)[C@H]21 Homo sapiens CHEMBL3619269 cell-based format
CHEMBL3935453 OBDepict F N O H 2 N N N H F F F IC50 = 14.0 nM 432.42 NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3CCNC(C(F)(F)F)C3)cc2n1 Homo sapiens CHEMBL3888122 cell-based format
CHEMBL3936247 OBDepict CH 3 O N CH 3 F N O H 2 N N N H 3 C IC50 = 14.0 nM 405.43 COc1cc(Cc2ccc3c(-c4cnn(C)c4)cc(C(N)=O)nc3c2F)cc(C)n1 Homo sapiens CHEMBL3888122 cell-based format
CHEMBL4110690 OBDepict F N S N O NH 2 N H H 3 C O H F F F IC50 = 14.0 nM 468.48 C[C@@H]1CN(Cc2ccc3c(-c4cnc(CF)s4)cc(C(N)=O)nc3c2)C[C@H](C(F)(F)F)O1 Homo sapiens CHEMBL3888122 cell-based format
CHEMBL4113735 OBDepict H 3 C O O N F N N N H 3 C O H F F F IC50 = 14.0 nM 452.41 COC(=O)c1cc(-c2cnn(C)c2)c2ccc(CN3CCO[C@@H](C(F)(F)F)C3)c(F)c2n1 Homo sapiens CHEMBL3888122 cell-based format
CHEMBL275079 OBDepict OH O H 2 N O H H H O OH Ki = 14.1 nM 187.15 N[C@@]1(C(=O)O)CO[C@@H]2[C@H]1[C@H]2C(=O)O Homo sapiens CHEMBL717370 cell-based format
CHEMBL4757159 OBDepict CH 3 CH 3 S H NH 2 H OH O HO H H H O OH ClH Ki = 14.2 nM 387.89 Cc1ccc(SC[C@@H]2[C@@H](O)[C@@H]3[C@@H]([C@H]3C(=O)O)[C@]2(N)C(=O)O)cc1C.Cl Homo sapiens CHEMBL4719947 cell membrane format
CHEMBL2179319 OBDepict F F F N N N N Ki = 15.0 nM 400.45 FC(F)(F)c1c(N2CCC(c3ccccc3)CC2)ccn2c(CC3CC3)nnc12 Homo sapiens CHEMBL3858878 single protein format
CHEMBL3909377 OBDepict N N N O H 2 N N N CH 3 IC50 = 15.0 nM 368.4 Cn1cc(-c2cc(C(N)=O)nc3cc(Cc4ccnc(C#N)c4)ccc23)cn1 Homo sapiens CHEMBL3888122 cell-based format
CHEMBL3938177 OBDepict CH 3 HO F F F N N N O H 2 N F IC50 = 15.0 nM 472.44 CC[C@](O)(c1cn(Cc2ccc3c(-c4ccc(F)cc4)cc(C(N)=O)nc3c2)cn1)C(F)(F)F Homo sapiens CHEMBL3888122 cell-based format
CHEMBL3979694 OBDepict CH 3 N N N O NH 2 N O F F F IC50 = 15.0 nM 433.43 CCn1cc(-c2cc(C(N)=O)nc3cc(CN4CCOC(C(F)(F)F)C4)ccc23)cn1 Homo sapiens CHEMBL3888122 cell-based format
CHEMBL3956202 OBDepict CH 3 O N O NH 2 H 3 C NH 2 N IC50 = 15.0 nM 412.49 COc1ccc(-c2cc(C(N)=O)nc3cc(C(C)Cc4cccnc4N)ccc23)cc1 Homo sapiens CHEMBL3888122 cell-based format
CHEMBL3970507 OBDepict F N N N O NH 2 N O F F F IC50 = 15.0 nM 437.4 NC(=O)c1cc(-c2cnn(CF)c2)c2ccc(CN3CCOC(C(F)(F)F)C3)cc2n1 Homo sapiens CHEMBL3888122 cell-based format
CHEMBL2179319 OBDepict F F F N N N N IC50 = 15.0 nM 400.45 FC(F)(F)c1c(N2CCC(c3ccccc3)CC2)ccn2c(CC3CC3)nnc12 Homo sapiens CHEMBL2185983 cell-based format
CHEMBL3959505 OBDepict HO N F N O H 2 N F IC50 = 15.0 nM 405.4 NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(Cc3ccc(CO)nc3)c(F)c2n1 Homo sapiens CHEMBL3888122 cell-based format
CHEMBL4111267 OBDepict F N O H 2 N OH H N Cl IC50 = 15.0 nM 421.86 NC(=O)c1cc(-c2ccc(F)cc2)c2ccc([C@H](O)Cc3ccc(Cl)nc3)cc2n1 Homo sapiens CHEMBL3888122 cell-based format
CHEMBL3921588 OBDepict F N N N O H 2 N N O H F F F IC50 = 15.0 nM 437.4 NC(=O)c1cc(-c2cnn(CF)c2)c2ccc(CN3CCO[C@H](C(F)(F)F)C3)cc2n1 Homo sapiens CHEMBL3888122 cell-based format
CHEMBL4642338 OBDepict H 3 C HO F F F N N N N N O H 2 N F IC50 = 16.0 nM 474.42 CC[C@@](O)(c1nnn(Cc2ccc3c(-c4ccc(F)cc4)cc(C(N)=O)nc3c2)n1)C(F)(F)F Homo sapiens CHEMBL4620114 single protein format
CHEMBL3929631 OBDepict CH 3 HO F F F N N N O H 2 N F O H 3 C IC50 = 16.0 nM 502.47 CCC(O)(c1cn(Cc2ccc3c(-c4ccc(OC)c(F)c4)cc(C(N)=O)nc3c2)cn1)C(F)(F)F Homo sapiens CHEMBL3888122 cell-based format
CHEMBL3924490 OBDepict CH 3 HO F F F N N N O H 2 N F O H 3 C IC50 = 16.0 nM 502.47 CCC(O)(c1cn(Cc2ccc3c(-c4ccc(OC)cc4F)cc(C(N)=O)nc3c2)cn1)C(F)(F)F Homo sapiens CHEMBL3888122 cell-based format
CHEMBL4113348 OBDepict CH 3 N N N O H 2 N N H CH 3 O H F F F IC50 = 16.0 nM 433.43 C[C@@H]1CN(Cc2ccc3c(-c4cnn(C)c4)cc(C(N)=O)nc3c2)C[C@@H](C(F)(F)F)O1 Homo sapiens CHEMBL3888122 cell-based format
CHEMBL3949476 OBDepict O N O N O H 2 N IC50 = 16.0 nM 363.42 NC(=O)c1cc(C2=CCCCC2)c2ccc(CN3C(=O)CCC3=O)cc2n1 Homo sapiens CHEMBL3888122 cell-based format
CHEMBL3936318 OBDepict CH 3 N N N O H 2 N N H CH 3 O H F F F IC50 = 17.0 nM 433.43 C[C@H]1CN(Cc2ccc3c(-c4cnn(C)c4)cc(C(N)=O)nc3c2)C[C@@H](C(F)(F)F)O1 Homo sapiens CHEMBL3888122 cell-based format