HOME LIGAND hPROTEOME OTHERS DOCUMENT

P22748 | CAH4_HUMAN | Carbonic anhydrase 4 (CA4)

3D structures mapped by conservation among orthologs

[ Domain: "Carbonic anhydrase" // Carb_anhydrase ]

download pymol session



[ 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
CHEMBL4577408 OBDepict HO N H O H H N O Cl S O O NH 2 Ki = 0.22 nM 451.93 NS(=O)(=O)c1ccc(N2C(=O)C[C@H](C(=O)NCCCO)[C@H]2c2ccc(Cl)cc2)cc1 Homo sapiens CHEMBL4363585 single protein format
CHEMBL4573177 OBDepict HO O N H O H H N O Cl S O O NH 2 Ki = 0.31 nM 465.92 NS(=O)(=O)c1ccc(N2C(=O)C[C@H](C(=O)NCCC(=O)O)[C@H]2c2ccc(Cl)cc2)cc1 Homo sapiens CHEMBL4363585 single protein format
CHEMBL4739913 OBDepict O N H N S N S O O NH 2 Ki = 0.36 nM 290.37 NS(=O)(=O)c1nnc(NC(=O)C2CCCCC2)s1 Homo sapiens CHEMBL4672551 assay format
CHEMBL1288787 OBDepict CH 3 N H O N S N S O O NH 2 Ki = 0.37 nM 250.31 CCCC(=O)Nc1nnc(S(N)(=O)=O)s1 Homo sapiens CHEMBL4672551 assay format
CHEMBL4521611 OBDepict CH 3 N N N H O H H N O Cl S O O NH 2 Ki = 0.39 nM 534.08 CN1CCN(CCCNC(=O)[C@H]2CC(=O)N(c3ccc(S(N)(=O)=O)cc3)[C@@H]2c2ccc(Cl)cc2)CC1 Homo sapiens CHEMBL4363585 single protein format
CHEMBL23579 OBDepict O N H CH 3 H 3 C CH 3 N S N S O O NH 2 Ki = 0.43 nM 264.33 CC(C)(C)C(=O)Nc1nnc(S(N)(=O)=O)s1 Homo sapiens CHEMBL4672551 assay format
CHEMBL1288807 OBDepict H 3 C H 3 C NH O N S N S O O NH 2 Ki = 0.44 nM 250.31 CC(C)C(=O)Nc1nnc(S(N)(=O)=O)s1 Homo sapiens CHEMBL4672551 assay format
CHEMBL4100903 OBDepict CH 3 H 3 C H 3 C N H O O O O Ki = 0.44 nM 393.48 CC(C)Cc1ccc(C(C)C(=O)NCCOc2ccc3oc(=O)ccc3c2)cc1 Homo sapiens CHEMBL3993626 single protein format
CHEMBL4586855 OBDepict H 3 C N CH 3 N H O H H N O Cl S O O H 2 N Ki = 0.52 nM 479.0 CN(C)CCCNC(=O)[C@H]1CC(=O)N(c2ccc(S(N)(=O)=O)cc2)[C@@H]1c1ccc(Cl)cc1 Homo sapiens CHEMBL4363585 single protein format
CHEMBL3885230 OBDepict CH 3 O H O N H O O CH 3 S CH 3 O O NH 2 Ki = 0.53 nM 468.53 COc1ccc([C@@H]2C(=O)N(c3ccc(S(N)(=O)=O)cc3)[C@H]2c2ccc(OC)c(OC)c2)cc1 Homo sapiens CHEMBL3876601 single protein format
CHEMBL4550339 OBDepict H 3 C O O N H O H H N O Cl S O O H 2 N Ki = 0.59 nM 479.94 CC(=O)OCCNC(=O)[C@H]1CC(=O)N(c2ccc(S(N)(=O)=O)cc2)[C@@H]1c1ccc(Cl)cc1 Homo sapiens CHEMBL4363585 single protein format
CHEMBL4446872 OBDepict O N H H H N O N Cl O S O O NH 2 Ki = 0.61 nM 507.01 NS(=O)(=O)c1ccc(N2C(=O)C[C@H](C(=O)NCCN3CCOCC3)[C@H]2c2ccc(Cl)cc2)cc1 Homo sapiens CHEMBL4363585 single protein format
CHEMBL3885451 OBDepict CH 3 O O CH 3 O H N CH 3 H O S O O NH 2 Ki = 0.64 nM 468.53 COc1cc([C@H]2[C@H](c3ccccc3)C(=O)N2c2ccc(S(N)(=O)=O)cc2)cc(OC)c1OC Homo sapiens CHEMBL3876601 single protein format
CHEMBL3883807 OBDepict H 3 C O O O H N CH 3 CH 3 H O S S O O NH 2 Ki = 0.65 nM 474.56 COc1cc(OC)c([C@H]2[C@H](c3cccs3)C(=O)N2c2ccc(S(N)(=O)=O)cc2)c(OC)c1 Homo sapiens CHEMBL3876601 single protein format
CHEMBL4569748 OBDepict OH O N H O H H N O Cl S O O NH 2 Ki = 0.65 nM 451.89 NS(=O)(=O)c1ccc(N2C(=O)C[C@H](C(=O)NCC(=O)O)[C@H]2c2ccc(Cl)cc2)cc1 Homo sapiens CHEMBL4363585 single protein format
CHEMBL4462700 OBDepict O N H H H N O N Cl N S O O NH 2 Ki = 0.66 nM 502.0 NS(=O)(=O)c1ccc(N2C(=O)C[C@H](C(=O)NCCCn3ccnc3)[C@H]2c2ccc(Cl)cc2)cc1 Homo sapiens CHEMBL4363585 single protein format
CHEMBL4088636 OBDepict CH 3 O CH 3 H NH O O O O Ki = 0.73 nM 417.46 COc1ccc2cc([C@H](C)C(=O)NCCOc3ccc4oc(=O)ccc4c3)ccc2c1 Homo sapiens CHEMBL3993626 single protein format
CHEMBL1288786 OBDepict CH 3 N H O N S N S O O NH 2 Ki = 0.78 nM 236.28 CCC(=O)Nc1nnc(S(N)(=O)=O)s1 Homo sapiens CHEMBL4672551 assay format
CHEMBL4060402 OBDepict O NH N O O O O Ki = 0.79 nM 442.47 O=C(c1ccccc1)c1ccc2n1CCC2C(=O)NCCOc1ccc2oc(=O)ccc2c1 Homo sapiens CHEMBL3993626 single protein format
CHEMBL4096350 OBDepict O N H CH 3 O F O O Ki = 0.81 nM 431.46 CC(C(=O)NCCOc1ccc2oc(=O)ccc2c1)c1ccc(-c2ccccc2)c(F)c1 Homo sapiens CHEMBL3993626 single protein format
CHEMBL4586708 OBDepict O N H H H N O N Cl S O O NH 2 Ki = 0.89 nM 505.04 NS(=O)(=O)c1ccc(N2C(=O)C[C@H](C(=O)NCCCN3CCCC3)[C@H]2c2ccc(Cl)cc2)cc1 Homo sapiens CHEMBL4363585 single protein format
CHEMBL4476050 OBDepict HO N H O H H N O Cl S O O NH 2 Ki = 0.9 nM 437.91 NS(=O)(=O)c1ccc(N2C(=O)C[C@H](C(=O)NCCO)[C@H]2c2ccc(Cl)cc2)cc1 Homo sapiens CHEMBL4363585 single protein format
CHEMBL3883491 OBDepict H 3 C O O H N CH 3 O H CH 3 O S O O NH 2 Ki = 0.95 nM 468.53 COc1cc(OC)c([C@H]2[C@H](c3ccccc3)C(=O)N2c2ccc(S(N)(=O)=O)cc2)cc1OC Homo sapiens CHEMBL3876601 single protein format
CHEMBL4593200 OBDepict CH 3 O O NH O H H N O Cl S O O NH 2 Ki = 1.0 nM 479.94 COC(=O)CCNC(=O)[C@H]1CC(=O)N(c2ccc(S(N)(=O)=O)cc2)[C@@H]1c1ccc(Cl)cc1 Homo sapiens CHEMBL4363585 single protein format
CHEMBL4440330 OBDepict H 3 C N CH 3 HN O H H N O Cl S O O NH 2 Ki = 1.2 nM 464.98 CN(C)CCNC(=O)[C@H]1CC(=O)N(c2ccc(S(N)(=O)=O)cc2)[C@@H]1c1ccc(Cl)cc1 Homo sapiens CHEMBL4363585 single protein format
CHEMBL4475435 OBDepict O N H H H N O N Cl S O O O NH 2 Ki = 1.5 nM 521.04 NS(=O)(=O)c1ccc(N2C(=O)C[C@H](C(=O)NCCCN3CCOCC3)[C@H]2c2ccc(Cl)cc2)cc1 Homo sapiens CHEMBL4363585 single protein format
CHEMBL4435078 OBDepict OH Te O H 3 C S O O NH 2 Ki = 1.7 nM 449.0 Cc1ccc([Te]CC(O)COc2ccc(S(N)(=O)=O)cc2)cc1 Homo sapiens CHEMBL4362413 single protein format
CHEMBL4167555 OBDepict CH 3 N H N O S O O NH 2 Ki = 1.7 nM 373.48 CN1CCN(C(=O)c2ccc(S(N)(=O)=O)cc2)C[C@H]1Cc1ccccc1 Homo sapiens CHEMBL4152969 assay format
CHEMBL4587627 OBDepict CH 3 Te S O O NH 2 Ki = 1.8 nM 388.95 Cc1ccccc1[Te]Cc1ccc(S(N)(=O)=O)cc1 Homo sapiens CHEMBL4813209 single protein format
CHEMBL3883755 OBDepict CH 3 O O O H N H 3 C H 3 C H O S O O NH 2 Ki = 1.8 nM 468.53 COc1cc(OC)c([C@H]2[C@H](c3ccccc3)C(=O)N2c2ccc(S(N)(=O)=O)cc2)c(OC)c1 Homo sapiens CHEMBL3876601 single protein format
CHEMBL4457120 OBDepict CH 3 O O NH O H H N O Cl S O O NH 2 Ki = 1.8 nM 493.97 CC(=O)OCCCNC(=O)[C@H]1CC(=O)N(c2ccc(S(N)(=O)=O)cc2)[C@@H]1c1ccc(Cl)cc1 Homo sapiens CHEMBL4363585 single protein format
CHEMBL4469501 OBDepict OH O N H O H H N O Cl S O O NH 2 Ki = 1.8 nM 479.94 NS(=O)(=O)c1ccc(N2C(=O)C[C@H](C(=O)NCCCC(=O)O)[C@H]2c2ccc(Cl)cc2)cc1 Homo sapiens CHEMBL4363585 single protein format
CHEMBL4532721 OBDepict H 3 C Te S O O NH 2 Ki = 1.9 nM 388.95 Cc1ccc([Te]Cc2ccc(S(N)(=O)=O)cc2)cc1 Homo sapiens CHEMBL4813209 single protein format
CHEMBL4172413 OBDepict O N H N S S O O CH 3 O O H 2 N Ki = 2.0 nM 437.54 CS(=O)(=O)N1CCN(C(=O)c2ccc(S(N)(=O)=O)cc2)[C@H](Cc2ccccc2)C1 Homo sapiens CHEMBL4152969 assay format
CHEMBL4450666 OBDepict H 3 C O N H O H H N O Cl S O O NH 2 Ki = 2.1 nM 514.0 COc1ccc(CNC(=O)[C@H]2CC(=O)N(c3ccc(S(N)(=O)=O)cc3)[C@@H]2c2ccc(Cl)cc2)cc1 Homo sapiens CHEMBL4363585 single protein format
CHEMBL4453207 OBDepict CH 3 O Te S O O NH 2 Ki = 2.1 nM 404.95 COc1ccc([Te]Cc2ccc(S(N)(=O)=O)cc2)cc1 Homo sapiens CHEMBL4813209 single protein format
CHEMBL4163666 OBDepict O N N H O S O O NH 2 Ki = 2.3 nM 477.59 NS(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)Cc3ccccc3)C[C@H]2Cc2ccccc2)cc1 Homo sapiens CHEMBL4152969 assay format
CHEMBL4164109 OBDepict O N N H S O O NH 2 Ki = 2.3 nM 449.58 NS(=O)(=O)c1ccc(C(=O)N2CCN(Cc3ccccc3)[C@H](Cc3ccccc3)C2)cc1 Homo sapiens CHEMBL4152969 assay format
CHEMBL4453623 OBDepict CH 3 O O NH O H H N O Cl S O O NH 2 Ki = 2.4 nM 465.92 COC(=O)CNC(=O)[C@H]1CC(=O)N(c2ccc(S(N)(=O)=O)cc2)[C@@H]1c1ccc(Cl)cc1 Homo sapiens CHEMBL4363585 single protein format
CHEMBL4171305 OBDepict O N N H S O O O NH 2 Ki = 2.6 nM 477.59 NS(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)Cc3ccccc3)[C@H](Cc3ccccc3)C2)cc1 Homo sapiens CHEMBL4152969 assay format
CHEMBL4079507 OBDepict H 3 C O N H 3 C O NH O O Cl O O Ki = 2.6 nM 544.99 COc1ccc2c(c1)c(CC(=O)NCCOc1ccc3oc(=O)ccc3c1)c(C)n2C(=O)c1ccc(Cl)cc1 Homo sapiens CHEMBL3993626 single protein format
CHEMBL4161747 OBDepict H 3 C N O N H O S O O NH 2 Ki = 2.9 nM 401.49 CC(=O)N1CCN(C(=O)c2ccc(S(N)(=O)=O)cc2)[C@H](Cc2ccccc2)C1 Homo sapiens CHEMBL4152969 assay format
CHEMBL4167883 OBDepict H 3 C N O H N O S O O NH 2 Ki = 3.3 nM 401.49 CC(=O)N1CCN(C(=O)c2ccc(S(N)(=O)=O)cc2)C[C@H]1Cc1ccccc1 Homo sapiens CHEMBL4152969 assay format
CHEMBL4171956 OBDepict CH 3 N N H O S O O NH 2 Ki = 3.6 nM 373.48 CN1CCN(C(=O)c2ccc(S(N)(=O)=O)cc2)[C@H](Cc2ccccc2)C1 Homo sapiens CHEMBL4152969 assay format
CHEMBL4175825 OBDepict O N H N S S O O O O H 2 N Ki = 3.6 nM 499.61 NS(=O)(=O)c1ccc(C(=O)N2CCN(S(=O)(=O)c3ccccc3)C[C@H]2Cc2ccccc2)cc1 Homo sapiens CHEMBL4152969 assay format
CHEMBL3884696 OBDepict CH 3 O O CH 3 O H N CH 3 H O S S O O NH 2 Ki = 3.7 nM 474.56 COc1cc([C@H]2[C@H](c3cccs3)C(=O)N2c2ccc(S(N)(=O)=O)cc2)cc(OC)c1OC Homo sapiens CHEMBL3876601 single protein format
CHEMBL4164457 OBDepict O N N H S O O NH 2 O Ki = 4.0 nM 463.56 NS(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)c3ccccc3)[C@H](Cc3ccccc3)C2)cc1 Homo sapiens CHEMBL4152969 assay format
CHEMBL4067135 OBDepict H 3 C NH N O S O O NH 2 Ki = 4.0 nM 343.41 Cc1ccc2c(c1)/C(=N/CCc1ccc(S(N)(=O)=O)cc1)C(=O)N2 Homo sapiens CHEMBL3993916 single protein format
CHEMBL353861 OBDepict OH N S O O N S S O O O NH 2 IC50 = 4.25 nM 457.56 NS(=O)(=O)c1cc2c(s1)S(=O)(=O)N(c1cccc(O)c1)C(CN1CCOCC1)=C2 Homo sapiens CHEMBL657036 single protein format
CHEMBL4082922 OBDepict O N H CH 3 O O O O Ki = 4.4 nM 441.48 CC(C(=O)NCCOc1ccc2oc(=O)ccc2c1)c1cccc(C(=O)c2ccccc2)c1 Homo sapiens CHEMBL3993626 single protein format
CHEMBL4434892 OBDepict H N S N N N N N O + N O _ O S O O NH 2 Ki = 4.5 nM 562.59 NS(=O)(=O)c1ccc(-n2nnc(-c3nnc(SCC(=O)c4cccc([N+](=O)[O-])c4)[nH]3)c2-c2ccccc2)cc1 Homo sapiens CHEMBL4313648 single protein format
CHEMBL4160707 OBDepict O N N H H S O O NH 2 Ki = 4.6 nM 359.45 NS(=O)(=O)c1ccc(C(=O)N2CCN[C@H](Cc3ccccc3)C2)cc1 Homo sapiens CHEMBL4152969 assay format
CHEMBL4516972 OBDepict CH 3 N N O H H N O Cl S O O NH 2 Ki = 4.7 nM 476.99 CN1CCN(C(=O)[C@H]2CC(=O)N(c3ccc(S(N)(=O)=O)cc3)[C@@H]2c2ccc(Cl)cc2)CC1 Homo sapiens CHEMBL4363585 single protein format
CHEMBL4537993 OBDepict F O S N N N H N N N S O O NH 2 Ki = 4.8 nM 535.59 NS(=O)(=O)c1ccc(-n2nnc(-c3nnc(SCC(=O)c4ccc(F)cc4)[nH]3)c2-c2ccccc2)cc1 Homo sapiens CHEMBL4313648 single protein format
CHEMBL3884126 OBDepict H 3 C O O H N CH 3 O H CH 3 O S S O O NH 2 Ki = 5.0 nM 474.56 COc1cc(OC)c([C@H]2[C@H](c3cccs3)C(=O)N2c2ccc(S(N)(=O)=O)cc2)cc1OC Homo sapiens CHEMBL3876601 single protein format
CHEMBL4453472 OBDepict H 3 C Te H 3 C S O O NH 2 Ki = 5.1 nM 402.97 Cc1cccc(C)c1[Te]Cc1ccc(S(N)(=O)=O)cc1 Homo sapiens CHEMBL4813209 single protein format
CHEMBL4169920 OBDepict O N N H S O O O NH 2 S O O H 2 N Ki = 5.1 nM 542.64 NS(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)c3ccc(S(N)(=O)=O)cc3)[C@H](Cc3ccccc3)C2)cc1 Homo sapiens CHEMBL4152969 assay format
CHEMBL4171554 OBDepict O N N H O S O O NH 2 Ki = 5.4 nM 477.59 NS(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)Cc3ccccc3)C[C@@H]2Cc2ccccc2)cc1 Homo sapiens CHEMBL4152969 assay format
CHEMBL3823618 OBDepict O N H O HO S HN O O N S N S O O NH 2 Ki = 5.5 nM 435.47 NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccc(NC(=O)CCC(=O)O)cc2)s1 Homo sapiens CHEMBL3825323 single protein format
CHEMBL4168600 OBDepict O N H N H S O O NH 2 Ki = 5.6 nM 359.45 NS(=O)(=O)c1ccc(C(=O)N2CCNC[C@H]2Cc2ccccc2)cc1 Homo sapiens CHEMBL4152969 assay format
CHEMBL4069089 OBDepict O N H N H O Cl Cl O O Ki = 5.6 nM 483.35 O=C(Cc1ccccc1Nc1c(Cl)cccc1Cl)NCCOc1ccc2oc(=O)ccc2c1 Homo sapiens CHEMBL3993626 single protein format
CHEMBL4169677 OBDepict H 3 C N O N H O S O O NH 2 Ki = 6.0 nM 401.49 CC(=O)N1CCN(C(=O)c2ccc(S(N)(=O)=O)cc2)[C@@H](Cc2ccccc2)C1 Homo sapiens CHEMBL4152969 assay format
CHEMBL4874519 OBDepict H 3 C Se HO Se S O O NH 2 Ki = 6.3 nM 429.3 CCCC[Se]CC(O)C[Se]c1ccc(S(N)(=O)=O)cc1 Homo sapiens CHEMBL4831090 single protein format
CHEMBL4461778 OBDepict CH 3 O O N H O H H N O Cl S O O H 2 N Ki = 6.5 nM 493.97 COC(=O)CCCNC(=O)[C@H]1CC(=O)N(c2ccc(S(N)(=O)=O)cc2)[C@@H]1c1ccc(Cl)cc1 Homo sapiens CHEMBL4363585 single protein format
CHEMBL88115 OBDepict O N H N S N O HO S O O NH 2 Ki = 6.7 nM 280.29 NS(=O)(=O)c1nnc(NC(=O)CCC(=O)O)s1 Homo sapiens CHEMBL3825323 single protein format
CHEMBL4535036 OBDepict HO Te O S O O NH 2 Ki = 6.8 nM 434.97 NS(=O)(=O)c1ccc(OCC(O)C[Te]c2ccccc2)cc1 Homo sapiens CHEMBL4362413 single protein format
CHEMBL4872231 OBDepict CH 3 O N N O S O O H 2 N HO Ki = 6.9 nM 449.49 COc1ccc(C2=N/C(=C/c3ccc(O)cc3)C(=O)N2c2ccc(S(N)(=O)=O)cc2)cc1 Homo sapiens CHEMBL4822378 single protein format
CHEMBL4167173 OBDepict NH 2 S O O N N N N Ki = 7.1 nM 327.37 NS(=O)(=O)c1ccc(-n2ncc3c2-c2cncnc2CC3)cc1 Homo sapiens CHEMBL4150370 single protein format
CHEMBL4849345 OBDepict HO Se S S O O NH 2 Ki = 7.2 nM 402.4 NS(=O)(=O)c1ccc([Se]CC(O)CSc2ccccc2)cc1 Homo sapiens CHEMBL4831090 single protein format
CHEMBL3884217 OBDepict CH 3 O O CH 3 H N H O S S O O NH 2 Ki = 7.4 nM 444.53 COc1ccc([C@H]2[C@H](c3cccs3)C(=O)N2c2ccc(S(N)(=O)=O)cc2)cc1OC Homo sapiens CHEMBL3876601 single protein format
CHEMBL433921 OBDepict CH 3 O N S O O N S S O O O H 2 N IC50 = 7.41 nM 471.58 COc1cccc(N2C(CN3CCOCC3)=Cc3cc(S(N)(=O)=O)sc3S2(=O)=O)c1 Homo sapiens CHEMBL657036 single protein format
CHEMBL4097542 OBDepict O N H H 3 C O F O + S CH 3 _ O O Ki = 7.5 nM 543.62 CC1=C(CC(=O)NCCOc2ccc3oc(=O)ccc3c2)c2cc(F)ccc2/C1=Cc1ccc([S+](C)[O-])cc1 Homo sapiens CHEMBL3993626 single protein format
CHEMBL4102368 OBDepict H 3 C NH O O N CH 3 S CH 3 O O NH 2 Ki = 7.5 nM 309.35 CC(=O)Nc1onc(C)c1-c1ccc(C)c(S(N)(=O)=O)c1 Homo sapiens CHEMBL3994309 single protein format
CHEMBL4875348 OBDepict HO Se Se S O O NH 2 Ki = 7.5 nM 449.29 NS(=O)(=O)c1ccc([Se]CC(O)C[Se]c2ccccc2)cc1 Homo sapiens CHEMBL4831090 single protein format
CHEMBL4173083 OBDepict O N H N S O O O NH 2 Ki = 7.8 nM 463.56 NS(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)c3ccccc3)C[C@@H]2Cc2ccccc2)cc1 Homo sapiens CHEMBL4152969 assay format
CHEMBL4167967 OBDepict O N H N S S O O O O H 2 N Ki = 7.8 nM 499.61 NS(=O)(=O)c1ccc(C(=O)N2CCN(S(=O)(=O)c3ccccc3)C[C@@H]2Cc2ccccc2)cc1 Homo sapiens CHEMBL4152969 assay format
CHEMBL4087725 OBDepict CH 3 O N CH 3 O HN O O Cl O O Ki = 8.3 nM 544.99 COc1ccc2c(c1)c(CC(=O)NCCOc1ccc3ccc(=O)oc3c1)c(C)n2C(=O)c1ccc(Cl)cc1 Homo sapiens CHEMBL3993626 single protein format
CHEMBL4172778 OBDepict O N N H S S O O NH 2 O O Ki = 8.7 nM 499.61 NS(=O)(=O)c1ccc(C(=O)N2CCN(S(=O)(=O)c3ccccc3)[C@H](Cc3ccccc3)C2)cc1 Homo sapiens CHEMBL4152969 assay format
CHEMBL4063405 OBDepict O N H CH 3 O F O O Ki = 8.8 nM 431.46 CC(C(=O)NCCOc1ccc2ccc(=O)oc2c1)c1ccc(-c2ccccc2)c(F)c1 Homo sapiens CHEMBL3993626 single protein format
CHEMBL4072247 OBDepict CH 3 S O O H 2 N N O S H 2 N O O H 2 N Ki = 8.9 nM 332.36 Cc1ccc(-c2noc(N)c2S(N)(=O)=O)cc1S(N)(=O)=O Homo sapiens CHEMBL3994309 single protein format
CHEMBL4076291 OBDepict O N H H 3 C O F O + S O CH 3 _ O Ki = 9.0 nM 543.62 CC1=C(CC(=O)NCCOc2ccc3ccc(=O)oc3c2)c2cc(F)ccc2/C1=Cc1ccc([S+](C)[O-])cc1 Homo sapiens CHEMBL3993626 single protein format
CHEMBL4103176 OBDepict O N H N H O Cl Cl O O Ki = 9.1 nM 483.35 O=C(Cc1ccccc1Nc1c(Cl)cccc1Cl)NCCOc1ccc2ccc(=O)oc2c1 Homo sapiens CHEMBL3993626 single protein format
CHEMBL4104094 OBDepict CH 3 CH 3 CH 3 N H O O O O Ki = 9.1 nM 393.48 CC(C)Cc1ccc(C(C)C(=O)NCCOc2ccc3ccc(=O)oc3c2)cc1 Homo sapiens CHEMBL3993626 single protein format
CHEMBL4100722 OBDepict CH 3 O S O O H 2 N N O S H 2 N O O H 2 N Ki = 9.3 nM 348.36 COc1ccc(-c2noc(N)c2S(N)(=O)=O)cc1S(N)(=O)=O Homo sapiens CHEMBL3994309 single protein format
CHEMBL4094868 OBDepict O NH N O O O O Ki = 9.4 nM 442.47 O=C(c1ccccc1)c1ccc2n1CCC2C(=O)NCCOc1ccc2ccc(=O)oc2c1 Homo sapiens CHEMBL3993626 single protein format
CHEMBL4176953 OBDepict O N N S O O NH 2 Ki = 9.5 nM 291.33 NS(=O)(=O)c1ccc(-n2ncc3c2CCCC3=O)cc1 Homo sapiens CHEMBL4150370 single protein format
CHEMBL4079848 OBDepict O N H CH 3 O O O O Ki = 9.5 nM 441.48 CC(C(=O)NCCOc1ccc2ccc(=O)oc2c1)c1cccc(C(=O)c2ccccc2)c1 Homo sapiens CHEMBL3993626 single protein format
CHEMBL4577187 OBDepict CH 3 O O H H N O Cl S O O NH 2 Ki = 9.6 nM 408.86 COC(=O)[C@@H]1CC(=O)N(c2ccc(S(N)(=O)=O)cc2)[C@H]1c1ccc(Cl)cc1 Homo sapiens CHEMBL4363585 single protein format
CHEMBL4067437 OBDepict CH 3 O CH 3 H NH O O O O Ki = 9.8 nM 417.46 COc1ccc2cc([C@H](C)C(=O)NCCOc3ccc4ccc(=O)oc4c3)ccc2c1 Homo sapiens CHEMBL3993626 single protein format
CHEMBL23194 OBDepict NH 2 N H N H H 2 N Ki = 10.0 nM 202.35 NCCCNCCCCNCCCN Homo sapiens CHEMBL1217097 single protein format
CHEMBL232616 OBDepict S N H HN O O H O S CH 3 H 3 C H O O O NH 2 H O CH 3 CH 3 Ki = 10.0 nM 473.57 CC1(C)O[C@@H]2CO[C@@]3(CNC(=S)Nc4ccc(S(N)(=O)=O)cc4)OC(C)(C)O[C@H]3[C@@H]2O1 Homo sapiens CHEMBL893565 single protein format
CHEMBL4873126 OBDepict H 3 C Se HO S S O O NH 2 Ki = 13.7 nM 382.41 CCCC[Se]CC(O)CSc1ccc(S(N)(=O)=O)cc1 Homo sapiens CHEMBL4831090 single protein format
CHEMBL287117 OBDepict HO O S N S O O NH 2 Ki = 15.0 nM 274.32 NS(=O)(=O)c1nc2ccc(OCCO)cc2s1 Homo sapiens CHEMBL824221 single protein format
CHEMBL71611 OBDepict F H 2 N S Cl HN O O N S N S O O NH 2 Ki = 15.0 nM 387.83 Nc1c(F)cc(S(=O)(=O)Nc2nnc(S(N)(=O)=O)s2)cc1Cl Homo sapiens CHEMBL1211825 single protein format
CHEMBL4069845 OBDepict O N CH 3 N S O O NH 2 Ki = 16.3 nM 343.41 CN1C(=O)/C(=NCCc2ccc(S(N)(=O)=O)cc2)c2ccccc21 Homo sapiens CHEMBL3993916 single protein format
CHEMBL6685 OBDepict HO S N S O O NH 2 Ki = 17.0 nM 230.27 NS(=O)(=O)c1nc2ccc(O)cc2s1 Homo sapiens CHEMBL824221 single protein format
CHEMBL25101 OBDepict H 2 N NH HN HN O Ki = 18.0 nM 370.54 NCCCNCCCCNCCCNC(=O)Cc1cccc2ccccc12 Homo sapiens CHEMBL1217097 single protein format
CHEMBL4535469 OBDepict OH Te O HO O S O O NH 2 S O O H 2 N Ki = 18.1 nM 588.13 NS(=O)(=O)c1ccc(OCC(O)C[Te]CC(O)COc2ccc(S(N)(=O)=O)cc2)cc1 Homo sapiens CHEMBL4362413 single protein format
CHEMBL35118 OBDepict NH 2 S N S O O NH 2 Ki = 19.0 nM 229.29 Nc1ccc2nc(S(N)(=O)=O)sc2c1 Homo sapiens CHEMBL824221 single protein format
CHEMBL4176156 OBDepict O N N H S S O O NH 2 O O CH 3 Ki = 19.0 nM 437.54 CS(=O)(=O)N1CCN(C(=O)c2ccc(S(N)(=O)=O)cc2)C[C@H]1Cc1ccccc1 Homo sapiens CHEMBL4152969 assay format