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O75762 | TRPA1_HUMAN | Transient receptor potential cation channel subfamily A member 1 (TRPA1)

3D structures mapped by conservation among orthologs

[ Domain: "Ankyrin repeat" // Ank_2 ]

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[ Domain: "Voltage-gated ion channels" // Ion_trans_1 ]

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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

molecule_chembl_id structure assay_type relation values units mol_wt smiles organism assay_chembl_id bao_label
CHEMBL4208555 OBDepict Cl NH O N H HO F F F IC50 = 0.7 nM 509.01 O=C(NC[C@@H](Cc1ccccc1)N1CCC(O)(C(F)(F)F)CC1)C1(c2ccc(Cl)cc2)CCCC1 Homo sapiens CHEMBL4190628 single protein format
CHEMBL3907685 OBDepict Cl HN O N OH F F F IC50 = 1.0 nM 509.01 O=C(NCC(Cc1ccccc1)N1CCC(O)(C(F)(F)F)CC1)C1(c2ccc(Cl)cc2)CCCC1 Homo sapiens CHEMBL3858029 cell-based format
CHEMBL4849329 OBDepict Cl H O H N N O N N O N N H 3 C IC50 = 1.2 nM 412.84 Cn1cnc2ncn(Cc3nc([C@@H]4CO[C@@H](c5ccc(Cl)cc5)C4)no3)c(=O)c21 Homo sapiens CHEMBL4828020 cell-based format
CHEMBL3976535 OBDepict O N H S N O O N N CH 3 H 3 C O Cl Cl O F F F IC50 = 1.45 nM 563.34 Cn1c(=O)c2c(CC(=O)Nc3nc(-c4cc(Cl)c(OCC(F)(F)F)c(Cl)c4)cs3)coc2n(C)c1=O Homo sapiens CHEMBL3887573 cell-based format
CHEMBL3974013 OBDepict O N H S N H 3 C O O N N CH 3 CH 3 O F F O F F F IC50 = 1.68 nM 544.46 Cc1oc2c(c1CC(=O)Nc1nc(-c3cc(F)c(OCC(F)(F)F)c(F)c3)cs1)c(=O)n(C)c(=O)n2C Homo sapiens CHEMBL3887573 cell-based format
CHEMBL3903533 OBDepict F N HN O HO F F F Cl IC50 = 2.0 nM 498.95 O=C(NCC(Cc1ccc(F)cc1)N1CCC(O)(C(F)(F)F)CC1)C1(c2ccc(Cl)cc2)CC1 Homo sapiens CHEMBL3858029 cell-based format
CHEMBL3947821 OBDepict F N F F F S N H O O O N N CH 3 CH 3 O IC50 = 2.15 nM 482.42 Cn1c(=O)c2c(CC(=O)Nc3nc(-c4cc(F)cc(C(F)(F)F)c4)cs3)coc2n(C)c1=O Homo sapiens CHEMBL3887573 cell-based format
CHEMBL3976217 OBDepict O N H S N O O N N CH 3 H 3 C O F F F F IC50 = 2.21 nM 482.42 Cn1c(=O)c2c(CC(=O)Nc3nc(-c4cccc(C(F)(F)F)c4F)cs3)coc2n(C)c1=O Homo sapiens CHEMBL3887573 cell-based format
CHEMBL4870870 OBDepict Cl N H H H N N O N N O N N H 3 C IC50 = 2.9 nM 423.86 Cn1cnc2ncn(Cc3nc([C@@H]4[C@H]5CN(c6cccc(Cl)c6)C[C@H]54)no3)c(=O)c21 Homo sapiens CHEMBL4828020 cell-based format
CHEMBL3905460 OBDepict F N F F F S N H O CH 3 O O N N CH 3 H 3 C O IC50 = 2.93 nM 496.44 Cc1oc2c(c1CC(=O)Nc1nc(-c3cc(F)cc(C(F)(F)F)c3)cs1)c(=O)n(C)c(=O)n2C Homo sapiens CHEMBL3887573 cell-based format
CHEMBL3927494 OBDepict O N H S N H 3 C O O N N CH 3 CH 3 O Cl F F F IC50 = 3.18 nM 512.9 Cc1oc2c(c1CC(=O)Nc1nc(-c3ccc(Cl)c(C(F)(F)F)c3)cs1)c(=O)n(C)c(=O)n2C Homo sapiens CHEMBL3887573 cell-based format
CHEMBL3920312 OBDepict CH 3 H 3 C O Cl Cl N S N H O CH 3 O O N N CH 3 H 3 C O IC50 = 3.34 nM 551.45 Cc1oc2c(c1CC(=O)Nc1nc(-c3cc(Cl)c(OCC(C)C)c(Cl)c3)cs1)c(=O)n(C)c(=O)n2C Homo sapiens CHEMBL3887573 cell-based format
CHEMBL3981050 OBDepict O N H S N O O N N CH 3 H 3 C O F F F F F IC50 = 3.38 nM 528.46 Cn1c(=O)c2c(CC(=O)Nc3nc(-c4cc(F)c(CCC(F)(F)F)c(F)c4)cs3)coc2n(C)c1=O Homo sapiens CHEMBL3887573 cell-based format
CHEMBL3929233 OBDepict O N H S N O O N N CH 3 H 3 C O F Cl O F F F IC50 = 3.54 nM 546.89 Cn1c(=O)c2c(CC(=O)Nc3nc(-c4cc(F)c(OCC(F)(F)F)c(Cl)c4)cs3)coc2n(C)c1=O Homo sapiens CHEMBL3887573 cell-based format
CHEMBL3904770 OBDepict O N H S N H 3 C O O N N CH 3 CH 3 O F F O H 3 C H 3 C CH 3 IC50 = 3.63 nM 532.57 Cc1oc2c(c1CC(=O)Nc1nc(-c3cc(F)c(OCC(C)(C)C)c(F)c3)cs1)c(=O)n(C)c(=O)n2C Homo sapiens CHEMBL3887573 cell-based format
CHEMBL3896353 OBDepict H 3 C S N H 3 C N H O O N O CH 3 S N F F O F F F IC50 = 3.98 nM 574.55 CCc1sc2c(c1CC(=O)Nc1nc(-c3cc(F)c(OCC(F)(F)F)c(F)c3)cs1)c(=O)n(C)c(=O)n2C Homo sapiens CHEMBL3887573 cell-based format
CHEMBL3982480 OBDepict F N H O N OH F F F IC50 = 4.0 nM 506.58 O=C(NCC(Cc1ccccc1)N1CCC(O)(C(F)(F)F)CC1)C1(c2ccc(F)cc2)CCCCC1 Homo sapiens CHEMBL3858029 cell-based format
CHEMBL3898239 OBDepict O N H S N H 3 C O O N N CH 3 CH 3 O F F F F F IC50 = 4.02 nM 514.43 Cc1oc2c(c1CC(=O)Nc1nc(-c3ccc(C(F)(F)F)c(F)c3F)cs1)c(=O)n(C)c(=O)n2C Homo sapiens CHEMBL3887573 cell-based format
CHEMBL3899453 OBDepict O N H S N H 3 C O O N N CH 3 CH 3 O F F F F F IC50 = 4.16 nM 514.43 Cc1oc2c(c1CC(=O)Nc1nc(-c3cc(F)c(C(F)(F)F)c(F)c3)cs1)c(=O)n(C)c(=O)n2C Homo sapiens CHEMBL3887573 cell-based format
CHEMBL3984932 OBDepict F N F F F S N H O N S O N N CH 3 CH 3 O IC50 = 4.4 nM 499.47 Cn1c(=O)c2c(CC(=O)Nc3nc(-c4cc(F)cc(C(F)(F)F)c4)cs3)nsc2n(C)c1=O Homo sapiens CHEMBL3887573 cell-based format
CHEMBL3956560 OBDepict O N H S N H 3 C O O N N CH 3 CH 3 O F F F F F IC50 = 4.52 nM 514.43 Cc1oc2c(c1CC(=O)Nc1nc(-c3ccc(F)c(C(F)(F)F)c3F)cs1)c(=O)n(C)c(=O)n2C Homo sapiens CHEMBL3887573 cell-based format
CHEMBL3977240 OBDepict O N H S N H 3 C O O N N CH 3 CH 3 O O F F F F IC50 = 4.84 nM 512.44 Cc1oc2c(c1CC(=O)Nc1nc(-c3ccc(F)c(OC(F)(F)F)c3)cs1)c(=O)n(C)c(=O)n2C Homo sapiens CHEMBL3887573 cell-based format
CHEMBL3905801 OBDepict O N H S N S O N N CH 3 H 3 C O F F F F F IC50 = 4.84 nM 516.47 Cn1c(=O)c2c(CC(=O)Nc3nc(-c4ccc(F)c(C(F)(F)F)c4F)cs3)csc2n(C)c1=O Homo sapiens CHEMBL3887573 cell-based format
CHEMBL4103545 OBDepict F S N O O H H H 3 C NH O H F Cl N N N F F F IC50 = 5.0 nM 575.95 C[C@H]1[C@H](F)C[C@@H](C(=O)NCc2cc(-c3cnc(C(F)(F)F)nc3)ncc2Cl)N1S(=O)(=O)c1ccc(F)cc1 Homo sapiens CHEMBL4049011 cell-based format
CHEMBL4079886 OBDepict F S N O O H H H 3 C N H O H F N N N N F F F IC50 = 5.0 nM 582.56 C[C@H]1[C@H](F)C[C@@H](C(=O)NCc2cc(-c3cnc(C(F)(F)F)nc3)nc(C3CC3)n2)N1S(=O)(=O)c1ccc(F)cc1 Homo sapiens CHEMBL4049011 cell-based format
CHEMBL3958126 OBDepict O N H S N Cl O O N N CH 3 H 3 C O F F F F IC50 = 5.06 nM 516.86 Cn1c(=O)c2c(CC(=O)Nc3nc(-c4ccc(C(F)(F)F)c(F)c4)cs3)c(Cl)oc2n(C)c1=O Homo sapiens CHEMBL3887573 cell-based format
CHEMBL3930651 OBDepict F N F F F S N H O Cl O O N N CH 3 CH 3 O IC50 = 5.15 nM 516.86 Cn1c(=O)c2c(CC(=O)Nc3nc(-c4cc(F)cc(C(F)(F)F)c4)cs3)c(Cl)oc2n(C)c1=O Homo sapiens CHEMBL3887573 cell-based format
CHEMBL3922771 OBDepict O N H S N H 3 C O O N N CH 3 CH 3 O Cl O F F F IC50 = 5.29 nM 542.92 Cc1oc2c(c1CC(=O)Nc1nc(-c3ccc(OCC(F)(F)F)c(Cl)c3)cs1)c(=O)n(C)c(=O)n2C Homo sapiens CHEMBL3887573 cell-based format
CHEMBL3944172 OBDepict O N H N S N S O N N CH 3 H 3 C O F F F F IC50 = 5.29 nM 499.47 Cn1c(=O)c2c(CC(=O)Nc3nc(-c4cccc(C(F)(F)F)c4F)cs3)nsc2n(C)c1=O Homo sapiens CHEMBL3887573 cell-based format
CHEMBL3945471 OBDepict O N H N S N S O N N CH 3 H 3 C O F F F F F IC50 = 5.35 nM 517.46 Cn1c(=O)c2c(CC(=O)Nc3nc(-c4ccc(C(F)(F)F)c(F)c4F)cs3)nsc2n(C)c1=O Homo sapiens CHEMBL3887573 cell-based format
CHEMBL3947368 OBDepict O N H S N O N N CH 3 H 3 C O F F F F F IC50 = 5.37 nM 510.44 Cn1c(=O)c2c(CC(=O)Nc3nc(-c4cc(F)c(C(F)(F)F)c(F)c4)cs3)cccc2n(C)c1=O Homo sapiens CHEMBL3887573 cell-based format
CHEMBL3941901 OBDepict O N H N S N S O N N CH 3 H 3 C O F F F F F IC50 = 5.6 nM 517.46 Cn1c(=O)c2c(CC(=O)Nc3nc(-c4ccc(F)c(C(F)(F)F)c4F)cs3)nsc2n(C)c1=O Homo sapiens CHEMBL3887573 cell-based format
CHEMBL3906012 OBDepict O N H S N O N N CH 3 H 3 C O F F O F F F IC50 = 5.96 nM 540.47 Cn1c(=O)c2c(CC(=O)Nc3nc(-c4cc(F)c(OCC(F)(F)F)c(F)c4)cs3)cccc2n(C)c1=O Homo sapiens CHEMBL3887573 cell-based format
CHEMBL3892326 OBDepict O N H N S N S O N N CH 3 H 3 C O Cl O F F F IC50 = 6.28 nM 531.93 Cn1c(=O)c2c(CC(=O)Nc3nc(-c4ccc(OC(F)(F)F)c(Cl)c4)cs3)nsc2n(C)c1=O Homo sapiens CHEMBL3887573 cell-based format
CHEMBL3987145 OBDepict O N H S N O N N CH 3 H 3 C O F F F F F IC50 = 6.49 nM 510.44 Cn1c(=O)c2c(CC(=O)Nc3nc(-c4ccc(C(F)(F)F)c(F)c4F)cs3)cccc2n(C)c1=O Homo sapiens CHEMBL3887573 cell-based format
CHEMBL3920106 OBDepict O N H S N H 3 C O O N N CH 3 CH 3 O F F F F IC50 = 6.65 nM 496.44 Cc1oc2c(c1CC(=O)Nc1nc(-c3ccc(C(F)(F)F)cc3F)cs1)c(=O)n(C)c(=O)n2C Homo sapiens CHEMBL3887573 cell-based format
CHEMBL3912738 OBDepict O N H N S N S O N N CH 3 H 3 C O F F F F IC50 = 6.74 nM 499.47 Cn1c(=O)c2c(CC(=O)Nc3nc(-c4ccc(C(F)(F)F)c(F)c4)cs3)nsc2n(C)c1=O Homo sapiens CHEMBL3887573 cell-based format
CHEMBL3948210 OBDepict O N H S N N O N N CH 3 H 3 C O F F O F F F IC50 = 6.91 nM 541.46 Cn1c(=O)c2c(CC(=O)Nc3nc(-c4cc(F)c(OCC(F)(F)F)c(F)c4)cs3)ccnc2n(C)c1=O Homo sapiens CHEMBL3887573 cell-based format
CHEMBL3974466 OBDepict Cl NH O N F F F IC50 = 7.0 nM 493.01 O=C(NCC(Cc1ccccc1)N1CCC(C(F)(F)F)CC1)C1(c2ccc(Cl)cc2)CCCC1 Homo sapiens CHEMBL3858029 cell-based format
CHEMBL3936454 OBDepict O N H S N H 3 C O O N N CH 3 CH 3 O F F F F IC50 = 7.1 nM 496.44 Cc1oc2c(c1CC(=O)Nc1nc(-c3ccc(F)c(C(F)(F)F)c3)cs1)c(=O)n(C)c(=O)n2C Homo sapiens CHEMBL3887573 cell-based format
CHEMBL4865298 OBDepict Cl H H N N O O N N O N N H 3 C IC50 = 7.4 nM 412.84 Cn1cnc2ncn(Cc3nn([C@H]4C[C@H](c5ccc(Cl)cc5)C4)c(=O)o3)c(=O)c21 Homo sapiens CHEMBL4828020 cell-based format
CHEMBL3978811 OBDepict O N H S N Cl O O N N CH 3 H 3 C O F F F F F IC50 = 7.58 nM 534.85 Cn1c(=O)c2c(CC(=O)Nc3nc(-c4ccc(C(F)(F)F)c(F)c4F)cs3)c(Cl)oc2n(C)c1=O Homo sapiens CHEMBL3887573 cell-based format
CHEMBL3939505 OBDepict O N H S N Cl O O N N CH 3 H 3 C O F O F F F IC50 = 7.67 nM 532.86 Cn1c(=O)c2c(CC(=O)Nc3nc(-c4ccc(OC(F)(F)F)c(F)c4)cs3)c(Cl)oc2n(C)c1=O Homo sapiens CHEMBL3887573 cell-based format
CHEMBL4092287 OBDepict F S N O O H H H 3 C NH O H F F N N N F F F IC50 = 8.0 nM 559.49 C[C@H]1[C@H](F)C[C@@H](C(=O)NCc2cc(-c3cnc(C(F)(F)F)nc3)ncc2F)N1S(=O)(=O)c1ccc(F)cc1 Homo sapiens CHEMBL4049011 cell-based format
CHEMBL3892970 OBDepict O N H N S N S O N N CH 3 H 3 C O F O F F F IC50 = 8.04 nM 515.47 Cn1c(=O)c2c(CC(=O)Nc3nc(-c4ccc(OC(F)(F)F)c(F)c4)cs3)nsc2n(C)c1=O Homo sapiens CHEMBL3887573 cell-based format
CHEMBL3931880 OBDepict O N H S N H 3 C O O N N CH 3 CH 3 O Cl O F F F IC50 = 8.54 nM 528.9 Cc1oc2c(c1CC(=O)Nc1nc(-c3ccc(OC(F)(F)F)c(Cl)c3)cs1)c(=O)n(C)c(=O)n2C Homo sapiens CHEMBL3887573 cell-based format
CHEMBL3905406 OBDepict O N H S N N O N N CH 3 H 3 C O F F F F IC50 = 8.92 nM 493.44 Cn1c(=O)c2c(CC(=O)Nc3nc(-c4ccc(C(F)(F)F)c(F)c4)cs3)ccnc2n(C)c1=O Homo sapiens CHEMBL3887573 cell-based format
CHEMBL4848526 OBDepict H OH N N O Cl N N O S N H O IC50 = 9.0 nM 457.9 O=C1NCCc2c1sc1ncn(Cc3nc(C[C@H](O)c4ccc(Cl)cc4)no3)c(=O)c21 Homo sapiens CHEMBL4837096 cell-based format
CHEMBL3932546 OBDepict O N H S N H 3 C O O N N CH 3 CH 3 O O Cl F F F IC50 = 9.04 nM 528.9 Cc1oc2c(c1CC(=O)Nc1nc(-c3ccc(Cl)c(OC(F)(F)F)c3)cs1)c(=O)n(C)c(=O)n2C Homo sapiens CHEMBL3887573 cell-based format
CHEMBL4866216 OBDepict CH 3 HN O S H 3 C N O N O N N HO H Cl IC50 = 10.0 nM 459.92 CNC(=O)c1sc2ncn(Cc3nc(C[C@H](O)c4ccc(Cl)cc4)no3)c(=O)c2c1C Homo sapiens CHEMBL4837096 cell-based format
CHEMBL4098855 OBDepict N N N H O N N H N S H F O O F H H 3 C F F F IC50 = 10.0 nM 566.51 C[C@H]1[C@H](F)C[C@@H](C(=O)NCc2cc(-c3cnc(C(F)(F)F)nc3)ncc2C#N)N1S(=O)(=O)c1ccc(F)cc1 Homo sapiens CHEMBL4049011 cell-based format
CHEMBL4215994 OBDepict F N H H HO H IC50 = 10.0 nM 263.36 O[C@]12CCCC[C@@H]1CCC[C@H]2Nc1ccc(F)cc1 Homo sapiens CHEMBL4190659 single protein format
CHEMBL3949747 OBDepict O N H S N Cl O O N N CH 3 H 3 C O F F F F F IC50 = 10.1 nM 534.85 Cn1c(=O)c2c(CC(=O)Nc3nc(-c4ccc(F)c(C(F)(F)F)c4F)cs3)c(Cl)oc2n(C)c1=O Homo sapiens CHEMBL3887573 cell-based format
CHEMBL3913924 OBDepict O N H N S N S O N N CH 3 H 3 C O F F F F IC50 = 10.57 nM 499.47 Cn1c(=O)c2c(CC(=O)Nc3nc(-c4ccc(C(F)(F)F)cc4F)cs3)nsc2n(C)c1=O Homo sapiens CHEMBL3887573 cell-based format
CHEMBL3900789 OBDepict O N H N S N H 3 C N O N N CH 3 CH 3 O F O F F F IC50 = 11.04 nM 512.45 Cn1nc2c(c1CC(=O)Nc1nc(-c3ccc(OC(F)(F)F)c(F)c3)cs1)c(=O)n(C)c(=O)n2C Homo sapiens CHEMBL3887573 cell-based format
CHEMBL3964272 OBDepict O N H S N O N N CH 3 H 3 C O F O F F F IC50 = 11.38 nM 508.45 Cn1c(=O)c2c(CC(=O)Nc3nc(-c4ccc(OC(F)(F)F)c(F)c4)cs3)cccc2n(C)c1=O Homo sapiens CHEMBL3887573 cell-based format
CHEMBL3947801 OBDepict O N H S N N O N N CH 3 H 3 C O F O F F F IC50 = 11.45 nM 509.44 Cn1c(=O)c2c(CC(=O)Nc3nc(-c4ccc(OC(F)(F)F)c(F)c4)cs3)ccnc2n(C)c1=O Homo sapiens CHEMBL3887573 cell-based format
CHEMBL3942587 OBDepict O N H S N O O N N CH 3 H 3 C O F F F F IC50 = 11.88 nM 482.42 Cn1c(=O)c2c(CC(=O)Nc3nc(-c4ccc(F)c(C(F)(F)F)c4)cs3)coc2n(C)c1=O Homo sapiens CHEMBL3887573 cell-based format
CHEMBL3983430 OBDepict Cl HN O N OH F F F Br IC50 = 12.0 nM 587.91 O=C(NCC(Cc1ccc(Br)cc1)N1CCC(O)(C(F)(F)F)CC1)C1(c2ccc(Cl)cc2)CCCC1 Homo sapiens CHEMBL3858029 cell-based format
CHEMBL3914798 OBDepict O N H N N S N O N N CH 3 H 3 C O Cl Cl O CH 3 H 3 C CH 3 IC50 = 12.26 nM 551.46 Cn1c(=O)c2c(cnn2CC(=O)Nc2nc(-c3cc(Cl)c(OCC(C)(C)C)c(Cl)c3)cs2)n(C)c1=O Homo sapiens CHEMBL3887573 cell-based format
CHEMBL3904928 OBDepict O N H S N H 3 C O O N N CH 3 CH 3 O F O F F F IC50 = 12.57 nM 512.44 Cc1oc2c(c1CC(=O)Nc1nc(-c3ccc(OC(F)(F)F)c(F)c3)cs1)c(=O)n(C)c(=O)n2C Homo sapiens CHEMBL3887573 cell-based format
CHEMBL4086464 OBDepict F S N O O H H H 3 C NH O H F N Cl N N F F F IC50 = 13.0 nM 575.95 C[C@H]1[C@H](F)C[C@@H](C(=O)NCc2cc(-c3cnc(C(F)(F)F)nc3)c(Cl)cn2)N1S(=O)(=O)c1ccc(F)cc1 Homo sapiens CHEMBL4049011 cell-based format
CHEMBL4077957 OBDepict O N H H N S H H 3 C O O F N N N F F F IC50 = 13.0 nM 523.51 C[C@H]1CC[C@@H](C(=O)NCc2cc(-c3ccc(C(F)(F)F)nc3)ncn2)N1S(=O)(=O)c1ccc(F)cc1 Homo sapiens CHEMBL4049011 cell-based format
CHEMBL4869839 OBDepict H HO N N O Cl N N O S CH 3 O H 2 N IC50 = 13.0 nM 445.89 Cc1c(C(N)=O)sc2ncn(Cc3nc(C[C@H](O)c4ccc(Cl)cc4)no3)c(=O)c12 Homo sapiens CHEMBL4837096 cell-based format
CHEMBL3935137 OBDepict O N H S N O N N CH 3 H 3 C O F F F F IC50 = 13.38 nM 492.45 Cn1c(=O)c2c(CC(=O)Nc3nc(-c4ccc(C(F)(F)F)c(F)c4)cs3)cccc2n(C)c1=O Homo sapiens CHEMBL3887573 cell-based format
CHEMBL3944579 OBDepict O N H S N H 3 C O O N N CH 3 CH 3 O F F F F IC50 = 13.59 nM 496.44 Cc1oc2c(c1CC(=O)Nc1nc(-c3cccc(C(F)(F)F)c3F)cs1)c(=O)n(C)c(=O)n2C Homo sapiens CHEMBL3887573 cell-based format
CHEMBL3912566 OBDepict Cl NH O N HO F F F IC50 = 14.0 nM 480.96 O=C(NCC(Cc1ccccc1)N1CCC(O)(C(F)(F)F)CC1)C1(c2ccc(Cl)cc2)CC1 Homo sapiens CHEMBL3858029 cell-based format
CHEMBL4859608 OBDepict F F HN O S CH 3 N O N O N N HO H Cl IC50 = 15.0 nM 509.92 Cc1c(C(=O)NCC(F)F)sc2ncn(Cc3nc(C[C@H](O)c4ccc(Cl)cc4)no3)c(=O)c12 Homo sapiens CHEMBL4837096 cell-based format
CHEMBL3298923 OBDepict CH 3 N H N F F F IC50 = 15.0 nM 276.26 Cc1cc2[nH]ncc2cc1-c1ccccc1C(F)(F)F Homo sapiens CHEMBL3299551 cell-based format
CHEMBL3981381 OBDepict O N H N S N H 3 C N O N N CH 3 CH 3 O F F F F IC50 = 15.92 nM 496.45 Cn1nc2c(c1CC(=O)Nc1nc(-c3ccc(C(F)(F)F)c(F)c3)cs1)c(=O)n(C)c(=O)n2C Homo sapiens CHEMBL3887573 cell-based format
CHEMBL3787249 OBDepict Cl N N O N N O N H 3 C IC50 = 16.0 nM 381.82 Cc1ccnc2ncn(Cc3nc(CCc4ccc(Cl)cc4)no3)c(=O)c12 Homo sapiens CHEMBL3789590 cell-based format
CHEMBL4850616 OBDepict H OH N N O Cl N N O S Cl O NH 2 IC50 = 16.0 nM 466.31 NC(=O)c1sc2ncn(Cc3nc(C[C@H](O)c4ccc(Cl)cc4)no3)c(=O)c2c1Cl Homo sapiens CHEMBL4837096 cell-based format
CHEMBL3894956 OBDepict CH 3 S N CH 3 N H O O N O H 3 C S N F F F F IC50 = 16.73 nM 526.54 CCc1sc2c(c1CC(=O)Nc1nc(-c3ccc(C(F)(F)F)c(F)c3)cs1)c(=O)n(C)c(=O)n2C Homo sapiens CHEMBL3887573 cell-based format
CHEMBL3894760 OBDepict O N H O S N N O N N CH 3 H 3 C O F F F F F IC50 = 17.08 nM 501.39 Cn1c(=O)c2c(CC(=O)Nc3nc(-c4ccc(F)c(C(F)(F)F)c4F)cs3)onc2n(C)c1=O Homo sapiens CHEMBL3887573 cell-based format
CHEMBL3943177 OBDepict O N H S N O N N CH 3 H 3 C O F F F F F IC50 = 17.3 nM 510.44 Cn1c(=O)c2c(CC(=O)Nc3nc(-c4ccc(F)c(C(F)(F)F)c4F)cs3)cccc2n(C)c1=O Homo sapiens CHEMBL3887573 cell-based format
CHEMBL3920880 OBDepict O N H S N O O N N CH 3 H 3 C O F F F F IC50 = 17.74 nM 482.42 Cn1c(=O)c2c(CC(=O)Nc3nc(-c4ccc(C(F)(F)F)c(F)c4)cs3)coc2n(C)c1=O Homo sapiens CHEMBL3887573 cell-based format
CHEMBL3976638 OBDepict O N H N S N O N N CH 3 H 3 C O Cl Cl O F F F IC50 = 18.05 nM 576.38 Cn1c(=O)c2c(ccn2CC(=O)Nc2nc(-c3cc(Cl)c(OCCC(F)(F)F)c(Cl)c3)cs2)n(C)c1=O Homo sapiens CHEMBL3887573 cell-based format
CHEMBL3924373 OBDepict CH 3 S N CH 3 N H O O N O H 3 C S N F F O F F IC50 = 18.12 nM 542.54 CCc1sc2c(c1CC(=O)Nc1nc(-c3cc(F)c(OC(F)F)c(F)c3)cs1)c(=O)n(C)c(=O)n2C Homo sapiens CHEMBL3887573 cell-based format
CHEMBL3908909 OBDepict CH 3 CH 3 O F F N S N H O O O N N H 3 C H 3 C O IC50 = 18.2 nM 504.52 CC(C)COc1c(F)cc(-c2csc(NC(=O)Cc3coc4c3c(=O)n(C)c(=O)n4C)n2)cc1F Homo sapiens CHEMBL3887573 cell-based format
CHEMBL4848827 OBDepict NH 2 O S H 3 C N O N O N N OH H O IC50 = 19.0 nM 451.46 Cc1c(C(N)=O)sc2ncn(Cc3nc(C[C@H](O)c4cc5ccccc5o4)no3)c(=O)c12 Homo sapiens CHEMBL4837096 cell-based format
CHEMBL3979456 OBDepict O N H S N N O N N CH 3 H 3 C O F F F F F IC50 = 19.32 nM 511.43 Cn1c(=O)c2c(CC(=O)Nc3nc(-c4ccc(F)c(C(F)(F)F)c4F)cs3)ccnc2n(C)c1=O Homo sapiens CHEMBL3887573 cell-based format
CHEMBL4062193 OBDepict F F N H N N N H O F F F IC50 = 20.0 nM 330.22 Fc1ccc(Nc2n[nH]c3cc(OC(F)(F)F)cnc23)cc1F Homo sapiens CHEMBL4036813 single protein format
CHEMBL3754638 OBDepict F H N S H F O O H 3 C H 3 C F IC50 = 20.0 nM 369.41 Cc1cc(S(=O)(=O)N2CC[C@@H](F)[C@@H]2c2ccc(F)cc2)cc(C)c1F Homo sapiens CHEMBL3757221 single protein format
CHEMBL3785736 OBDepict Cl N N O N N O N N H 3 C IC50 = 20.0 nM 370.8 Cn1cnc2ncn(Cc3nc(CCc4ccc(Cl)cc4)no3)c(=O)c21 Homo sapiens CHEMBL3789590 cell-based format
CHEMBL4863686 OBDepict Cl F H N N O O N N O N N H 3 C IC50 = 20.0 nM 404.79 Cn1cnc2ncn(Cc3nn(C[C@H](F)c4ccc(Cl)cc4)c(=O)o3)c(=O)c21 Homo sapiens CHEMBL4828020 cell-based format
CHEMBL3897802 OBDepict O N H S N O N N CH 3 H 3 C O F F F F IC50 = 20.09 nM 492.45 Cn1c(=O)c2c(CC(=O)Nc3nc(-c4ccc(F)c(C(F)(F)F)c4)cs3)cccc2n(C)c1=O Homo sapiens CHEMBL3887573 cell-based format
CHEMBL3753942 OBDepict F H N S F F O O H 3 C H 3 C F IC50 = 23.0 nM 387.4 Cc1cc(S(=O)(=O)N2CC(F)(F)C[C@@H]2c2ccc(F)cc2)cc(C)c1F Homo sapiens CHEMBL3757221 single protein format
CHEMBL3298922 OBDepict Cl N H N F F F IC50 = 24.0 nM 296.68 FC(F)(F)c1ccccc1-c1cc2cn[nH]c2cc1Cl Homo sapiens CHEMBL3299551 cell-based format
CHEMBL3299019 OBDepict CH 3 O N H N F F F IC50 = 26.0 nM 292.26 COc1cc2[nH]ncc2cc1-c1ccccc1C(F)(F)F Homo sapiens CHEMBL3299551 cell-based format
CHEMBL3299022 OBDepict H N N O F F F IC50 = 26.0 nM 332.33 FC(F)(F)c1ccccc1-c1cc2cn[nH]c2cc1OCC1CC1 Homo sapiens CHEMBL3299551 cell-based format
CHEMBL1939826 OBDepict H 3 C O O H NH S HN O IC50 = 26.0 nM 380.47 COCCCOc1cccc([C@H]2NC(=S)NC3=C2C(=O)c2ccccc23)c1 Homo sapiens CHEMBL3363074 single protein format
CHEMBL3897132 OBDepict O N H S N O N N CH 3 H 3 C O F F F F IC50 = 26.13 nM 492.45 Cn1c(=O)c2c(CC(=O)Nc3nc(-c4ccc(C(F)(F)F)cc4F)cs3)cccc2n(C)c1=O Homo sapiens CHEMBL3887573 cell-based format
CHEMBL3906234 OBDepict O N H N S N H 3 C N O N N CH 3 CH 3 O F F F IC50 = 26.56 nM 478.46 Cn1nc2c(c1CC(=O)Nc1nc(-c3ccc(C(F)(F)F)cc3)cs1)c(=O)n(C)c(=O)n2C Homo sapiens CHEMBL3887573 cell-based format
CHEMBL3945044 OBDepict O N H S N Cl O O N N CH 3 H 3 C O O F F F F IC50 = 27.41 nM 532.86 Cn1c(=O)c2c(CC(=O)Nc3nc(-c4ccc(F)c(OC(F)(F)F)c4)cs3)c(Cl)oc2n(C)c1=O Homo sapiens CHEMBL3887573 cell-based format
CHEMBL1939972 OBDepict CH 3 O O NH S HN O IC50 = 30.0 nM 380.47 COCCCOc1cccc(C2NC(=S)NC3=C2C(=O)c2ccccc23)c1 Homo sapiens CHEMBL3363074 single protein format
CHEMBL4077623 OBDepict F S N O O H H H 3 C NH O H F N F N N F F F IC50 = 33.0 nM 559.49 C[C@H]1[C@H](F)C[C@@H](C(=O)NCc2cc(-c3cnc(C(F)(F)F)nc3)c(F)cn2)N1S(=O)(=O)c1ccc(F)cc1 Homo sapiens CHEMBL4049011 cell-based format
CHEMBL3956363 OBDepict O N H S N H 3 C S O N N CH 3 CH 3 O Cl Cl IC50 = 33.61 nM 495.41 Cc1sc2c(c1CC(=O)Nc1nc(-c3ccc(Cl)c(Cl)c3)cs1)c(=O)n(C)c(=O)n2C Homo sapiens CHEMBL3887573 cell-based format
CHEMBL3904057 OBDepict F O F Cl N S N H O O N N CH 3 H 3 C O IC50 = 34.03 nM 506.92 Cn1c(=O)c2c(CC(=O)Nc3nc(-c4ccc(OC(F)F)c(Cl)c4)cs3)cccc2n(C)c1=O Homo sapiens CHEMBL3887573 cell-based format
CHEMBL3299024 OBDepict H N N O F F F F F F IC50 = 36.0 nM 346.23 FC(F)(F)Oc1cc2[nH]ncc2cc1-c1ccccc1C(F)(F)F Homo sapiens CHEMBL3299551 cell-based format
CHEMBL4847955 OBDepict Cl OH H N N O N N O S H 3 C HN O HO CH 3 CH 3 IC50 = 37.0 nM 518.0 Cc1c(C(=O)NCC(C)(C)O)sc2ncn(Cc3nc(C[C@H](O)c4ccc(Cl)cc4)no3)c(=O)c12 Homo sapiens CHEMBL4837096 cell-based format