HOME LIGAND hPROTEOME OTHERS DOCUMENT

Q16790 | CAH9_HUMAN | Carbonic anhydrase 9 (CA9)

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
CHEMBL4590200 OBDepict NH 2 S O O S O N N Ki = 0.089 nM 271.32 NS(=O)(=O)c1cc(-c2nc(C3CC3)no2)cs1 Homo sapiens CHEMBL4423249 single protein format
CHEMBL179559 OBDepict S N H N H O Cl S Cl O O NH 2 IC50 = 0.12 nM 404.3 NS(=O)(=O)c1ccc(NC(=S)NC(=O)c2ccc(Cl)cc2Cl)cc1 Homo sapiens CHEMBL4369236 single protein format
CHEMBL363543 OBDepict H 3 C O N N N H N O H 3 C S O O NH 2 Ki = 0.12 nM 339.38 CCOc1nc(Nc2ccc(S(N)(=O)=O)cc2)nc(OCC)n1 Homo sapiens CHEMBL828796 assay format
CHEMBL4560251 OBDepict H 3 C O N N O S S O O NH 2 Ki = 0.13 nM 337.38 COc1ccccc1-c1noc(-c2csc(S(N)(=O)=O)c2)n1 Homo sapiens CHEMBL4423249 single protein format
CHEMBL4545711 OBDepict O N H NH N S N S O O NH 2 Cl F F F Ki = 0.13 nM 401.78 NS(=O)(=O)c1nnc(NC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)s1 Homo sapiens CHEMBL4368293 single protein format
CHEMBL366069 OBDepict Cl N N N H N Cl S O O NH 2 Ki = 0.15 nM 320.16 NS(=O)(=O)c1ccc(Nc2nc(Cl)nc(Cl)n2)cc1 Homo sapiens CHEMBL828796 assay format
CHEMBL3764718 OBDepict H N S O O NH 2 Ki = 0.17 nM 272.33 NS(=O)(=O)c1ccc(-c2ccc3[nH]ccc3c2)cc1 Homo sapiens CHEMBL3766369 single protein format
CHEMBL3764628 OBDepict NH 2 S O O N Ki = 0.18 nM 284.34 NS(=O)(=O)c1ccc(-c2cnc3ccccc3c2)cc1 Homo sapiens CHEMBL3766369 single protein format
CHEMBL3763841 OBDepict NH 2 S O O S Ki = 0.21 nM 289.38 NS(=O)(=O)c1ccc(-c2cc3ccccc3s2)cc1 Homo sapiens CHEMBL3766369 single protein format
CHEMBL3764182 OBDepict NH 2 S O O Ki = 0.21 nM 233.29 NS(=O)(=O)c1ccc(-c2ccccc2)cc1 Homo sapiens CHEMBL3766369 single protein format
CHEMBL3763914 OBDepict NH 2 S O O Ki = 0.22 nM 283.35 NS(=O)(=O)c1ccc(-c2ccc3ccccc3c2)cc1 Homo sapiens CHEMBL3766369 single protein format
CHEMBL4527427 OBDepict CH 3 N N O S O O NH 2 Ki = 0.24 nM 315.35 Cc1nn(-c2ccc(S(N)(=O)=O)cc2)c(=O)c2ccccc12 Homo sapiens CHEMBL4391788 assay format
CHEMBL4552118 OBDepict NH 2 S O O S O N N Ki = 0.24 nM 307.36 NS(=O)(=O)c1cc(-c2nc(-c3ccccc3)no2)cs1 Homo sapiens CHEMBL4423249 single protein format
CHEMBL3765197 OBDepict NH 2 S O O N S O O Ki = 0.24 nM 412.49 NS(=O)(=O)c1ccc(-c2cn(S(=O)(=O)c3ccccc3)c3ccccc23)cc1 Homo sapiens CHEMBL3766369 single protein format
CHEMBL1518649 OBDepict H 3 C O N H O S O O NH 2 Ki = 0.25 nM 348.42 COc1ccc(CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1 Homo sapiens CHEMBL2415308 single protein format
CHEMBL1643301 OBDepict N HN N H O S O O NH 2 Ki = 0.3 nM 316.34 N#Cc1ccccc1NC(=O)Nc1ccc(S(N)(=O)=O)cc1 Homo sapiens CHEMBL1693046 single protein format
CHEMBL4473329 OBDepict H 3 C O N H O N H S S O O NH 2 IC50 = 0.3 nM 365.44 COc1ccccc1C(=O)NC(=S)Nc1ccc(S(N)(=O)=O)cc1 Homo sapiens CHEMBL4369236 single protein format
CHEMBL2402764 OBDepict CH 3 O N H O N S N S O O H 2 N Ki = 0.31 nM 328.38 COc1ccc(CC(=O)Nc2nnc(S(N)(=O)=O)s2)cc1 Homo sapiens CHEMBL2415308 single protein format
CHEMBL4464320 OBDepict NH 2 S O O N N O N Ki = 0.31 nM 302.31 NS(=O)(=O)c1ccc(-c2noc(-c3ccccn3)n2)cc1 Homo sapiens CHEMBL4423249 single protein format
CHEMBL2402768 OBDepict H 3 C O N H O S O O NH 2 Ki = 0.32 nM 320.37 COc1ccc(CC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1 Homo sapiens CHEMBL2415308 single protein format
CHEMBL4592596 OBDepict O N N S O O NH 2 Ki = 0.32 nM 301.33 NS(=O)(=O)c1ccc(-n2ncc3ccccc3c2=O)cc1 Homo sapiens CHEMBL4391788 assay format
CHEMBL2337539 OBDepict N S N N H O N O H 3 C S O O NH 2 Ki = 0.33 nM 441.49 CC(=O)C1=NN(c2ccccc2)/C(=C(C#N)C(=O)Nc2ccc(S(N)(=O)=O)cc2)S1 Homo sapiens CHEMBL2339499 single protein format
CHEMBL183945 OBDepict CH 3 O N N NH N O H 3 C S O O NH 2 Ki = 0.34 nM 353.4 CCOc1nc(NCc2ccc(S(N)(=O)=O)cc2)nc(OCC)n1 Homo sapiens CHEMBL828796 assay format
CHEMBL4551727 OBDepict NH 2 S O O N N O S Ki = 0.36 nM 307.36 NS(=O)(=O)c1ccc(-c2noc(-c3cccs3)n2)cc1 Homo sapiens CHEMBL4423249 single protein format
CHEMBL3763167 OBDepict NH 2 S O O O Ki = 0.37 nM 273.31 NS(=O)(=O)c1ccc(-c2cc3ccccc3o2)cc1 Homo sapiens CHEMBL3766369 single protein format
CHEMBL4525976 OBDepict NH 2 S O O S O N N N Ki = 0.39 nM 308.34 NS(=O)(=O)c1cc(-c2nc(-c3ccccn3)no2)cs1 Homo sapiens CHEMBL4423249 single protein format
CHEMBL2164737 OBDepict O NH NH S O O N H S O O NH 2 S O O H 2 N Ki = 0.4 nM 553.64 NS(=O)(=O)Nc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCCc3ccc(S(N)(=O)=O)cc3)cc2)cc1 Homo sapiens CHEMBL2166494 single protein format
CHEMBL2402776 OBDepict H 3 C O N H O Cl S O O NH 2 Ki = 0.41 nM 354.82 COc1ccc(CC(=O)Nc2ccc(S(N)(=O)=O)cc2Cl)cc1 Homo sapiens CHEMBL2415308 single protein format
CHEMBL4559832 OBDepict NH 2 S O O N N O N Ki = 0.44 nM 302.31 NS(=O)(=O)c1ccc(-c2noc(-c3ccncc3)n2)cc1 Homo sapiens CHEMBL4423249 single protein format
CHEMBL2402767 OBDepict O N H Br S O O NH 2 Ki = 0.44 nM 369.24 NS(=O)(=O)c1ccc(NC(=O)Cc2ccccc2Br)cc1 Homo sapiens CHEMBL2415308 single protein format
CHEMBL2402758 OBDepict CH 3 O N H O S O O NH 2 Ki = 0.45 nM 334.4 COc1ccc(CC(=O)NCc2ccc(S(N)(=O)=O)cc2)cc1 Homo sapiens CHEMBL2415308 single protein format
CHEMBL4434778 OBDepict OH N N O S O O NH 2 Ki = 0.46 nM 343.36 NS(=O)(=O)c1ccc(-n2nc(-c3ccccc3O)ccc2=O)cc1 Homo sapiens CHEMBL4391788 assay format
CHEMBL1370332 OBDepict CH 3 O N H O N H S S O O NH 2 IC50 = 0.47 nM 365.44 COc1ccc(C(=O)NC(=S)Nc2ccc(S(N)(=O)=O)cc2)cc1 Homo sapiens CHEMBL4369236 single protein format
CHEMBL4785560 OBDepict O N F H N O N N N S O O NH 2 Ki = 0.47 nM 366.33 NS(=O)(=O)c1ccc(-n2cc(Cn3cc(F)c(=O)[nH]c3=O)nn2)cc1 Homo sapiens CHEMBL4767964 single protein format
CHEMBL2298035 OBDepict S N H N H O S + N O O NH 2 O _ O IC50 = 0.48 nM 380.41 NS(=O)(=O)c1ccc(NC(=S)NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 Homo sapiens CHEMBL4369236 single protein format
CHEMBL2336905 OBDepict H 3 C S O O NH 2 N N N H S O O NH 2 IC50 = 0.48 nM 469.55 Cc1ccc(-c2nnc(Nc3ccc(S(N)(=O)=O)cc3)c3ccccc23)cc1S(N)(=O)=O Homo sapiens CHEMBL2344100 single protein format
CHEMBL4569531 OBDepict Cl N O N N S O O NH 2 Ki = 0.49 nM 382.87 NS(=O)(=O)c1ccc(-n2ncc(N3CCCCCC3)c(Cl)c2=O)cc1 Homo sapiens CHEMBL4391788 assay format
CHEMBL4084006 OBDepict NH 2 S O O N S N N N N S N S O O NH 2 Ki = 0.5 nM 458.53 NS(=O)(=O)c1nnc(/N=C/c2cccc(/C=N/c3nnc(S(N)(=O)=O)s3)c2)s1 Homo sapiens CHEMBL4034208 single protein format
CHEMBL1615280 OBDepict O N H N H H 3 C CH 3 S O O NH 2 Ki = 0.5 nM 333.41 CC(C)c1ccccc1NC(=O)Nc1ccc(S(N)(=O)=O)cc1 Homo sapiens CHEMBL1693046 single protein format
CHEMBL2402753 OBDepict O N H Br Br S O O NH 2 Ki = 0.52 nM 448.14 NS(=O)(=O)c1ccc(NC(=O)Cc2ccccc2Br)c(Br)c1 Homo sapiens CHEMBL2415308 single protein format
CHEMBL2402756 OBDepict O N H Cl S O O NH 2 Ki = 0.53 nM 338.82 NS(=O)(=O)c1ccc(CNC(=O)Cc2ccc(Cl)cc2)cc1 Homo sapiens CHEMBL2415308 single protein format
CHEMBL4462653 OBDepict CH 3 O N N S O O NH 2 Ki = 0.53 nM 239.26 Cc1nc(-c2ccc(S(N)(=O)=O)cc2)no1 Homo sapiens CHEMBL4423249 single protein format
CHEMBL4292479 OBDepict H 3 C O Se Se N S O O NH 2 Ki = 0.55 nM 486.31 COc1ccc([Se]Cc2cnc(-c3ccc(S(N)(=O)=O)cc3)[se]2)cc1 Homo sapiens CHEMBL4275753 single protein format
CHEMBL4173265 OBDepict O N N N H S O O NH 2 Ki = 0.55 nM 318.36 NS(=O)(=O)c1ccc(Nc2ncc3c(n2)CCCC3=O)cc1 Homo sapiens CHEMBL4150372 single protein format
CHEMBL4566532 OBDepict O N N N S O O NH 2 Ki = 0.56 nM 348.43 NS(=O)(=O)c1ccc(-n2ncc(N3CCCCCC3)cc2=O)cc1 Homo sapiens CHEMBL4391788 assay format
CHEMBL4167173 OBDepict NH 2 S O O N N N N Ki = 0.57 nM 327.37 NS(=O)(=O)c1ccc(-n2ncc3c2-c2cncnc2CC3)cc1 Homo sapiens CHEMBL4150372 single protein format
CHEMBL2402760 OBDepict O N H Br S O O NH 2 Ki = 0.57 nM 397.29 NS(=O)(=O)c1ccc(CCNC(=O)Cc2ccccc2Br)cc1 Homo sapiens CHEMBL2415308 single protein format
CHEMBL4542010 OBDepict Cl N O N N O S O O NH 2 Ki = 0.58 nM 370.82 NS(=O)(=O)c1ccc(-n2ncc(N3CCOCC3)c(Cl)c2=O)cc1 Homo sapiens CHEMBL4391788 assay format
CHEMBL4454736 OBDepict N O N N S O O NH 2 Ki = 0.6 nM 326.34 N#Cc1ccc(-c2nc(-c3ccc(S(N)(=O)=O)cc3)no2)cc1 Homo sapiens CHEMBL4423249 single protein format
CHEMBL2402763 OBDepict O N H N S Br N S O O NH 2 Ki = 0.61 nM 377.25 NS(=O)(=O)c1nnc(NC(=O)Cc2ccccc2Br)s1 Homo sapiens CHEMBL2415308 single protein format
CHEMBL2402754 OBDepict H 3 C O N H O Br S O O NH 2 Ki = 0.62 nM 399.27 COc1ccc(CC(=O)Nc2ccc(S(N)(=O)=O)cc2Br)cc1 Homo sapiens CHEMBL2415308 single protein format
CHEMBL4464763 OBDepict Cl Cl O N N S O O NH 2 Ki = 0.62 nM 370.22 NS(=O)(=O)c1ccc(-c2noc(-c3ccc(Cl)c(Cl)c3)n2)cc1 Homo sapiens CHEMBL4423249 single protein format
CHEMBL2337530 OBDepict N HN O OH OH S O O H 2 N Ki = 0.65 nM 359.36 N#C/C(=Cc1ccc(O)c(O)c1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 Homo sapiens CHEMBL2339499 single protein format
CHEMBL4563416 OBDepict Cl N H O N N S O O NH 2 Ki = 0.67 nM 390.85 NS(=O)(=O)c1ccc(-n2ncc(NCc3ccccc3)c(Cl)c2=O)cc1 Homo sapiens CHEMBL4391788 assay format
CHEMBL2337531 OBDepict N HN O OH S O O H 2 N Ki = 0.67 nM 343.36 N#C/C(=Cc1ccc(O)cc1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 Homo sapiens CHEMBL2339499 single protein format
CHEMBL4441461 OBDepict O NH N N N N F F F O N S O O NH 2 Ki = 0.7 nM 557.51 NS(=O)(=O)c1ccc(-n2nnc(C(=O)N/N=C(/CC(=O)c3ccccn3)C(F)(F)F)c2-c2ccccc2)cc1 Homo sapiens CHEMBL4316150 single protein format
CHEMBL4567068 OBDepict CH 3 N N N Cl N O S O O NH 2 Ki = 0.7 nM 397.89 CCN1CCN(c2cnn(-c3ccc(S(N)(=O)=O)cc3)c(=O)c2Cl)CC1 Homo sapiens CHEMBL4391788 assay format
CHEMBL4466537 OBDepict O HN N H Cl F F F S O O NH 2 Ki = 0.7 nM 407.8 NS(=O)(=O)c1ccc(CNC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1 Homo sapiens CHEMBL4368293 single protein format
CHEMBL4872796 OBDepict F N N N N O N OH F F F S N O O NH 2 Ki = 0.7 nM 575.5 NS(=O)(=O)c1ccc(-n2nnc(C(=O)N3N=C(c4ccccn4)CC3(O)C(F)(F)F)c2-c2ccc(F)cc2)cc1 Homo sapiens CHEMBL4822379 single protein format
CHEMBL4581991 OBDepict Cl N N O CH 3 O S O O H 2 N Ki = 0.72 nM 393.85 CC(=O)N1N=C(c2ccc(OS(N)(=O)=O)cc2)CC1c1cccc(Cl)c1 Homo sapiens CHEMBL4363549 single protein format
CHEMBL4165351 OBDepict O N N S O O NH 2 Ki = 0.73 nM 367.43 NS(=O)(=O)c1ccc(-n2ncc3c2CC(c2ccccc2)CC3=O)cc1 Homo sapiens CHEMBL4150372 single protein format
CHEMBL2402775 OBDepict O N H Br Cl S O O NH 2 Ki = 0.74 nM 403.69 NS(=O)(=O)c1ccc(NC(=O)Cc2ccccc2Br)c(Cl)c1 Homo sapiens CHEMBL2415308 single protein format
CHEMBL1738787 OBDepict HO N H N N N H N Cl S O O NH 2 Ki = 0.75 nM 344.78 NS(=O)(=O)c1ccc(Nc2nc(Cl)nc(NCCO)n2)cc1 Homo sapiens CHEMBL1815533 single protein format
CHEMBL4454859 OBDepict NH 2 S O O N N O Ki = 0.77 nM 301.33 NS(=O)(=O)c1ccc(-c2noc(-c3ccccc3)n2)cc1 Homo sapiens CHEMBL4423249 single protein format
CHEMBL4169838 OBDepict O N N N H S O O NH 2 Ki = 0.79 nM 394.46 NS(=O)(=O)c1ccc(Nc2ncc3c(n2)CC(c2ccccc2)CC3=O)cc1 Homo sapiens CHEMBL4150372 single protein format
CHEMBL1643298 OBDepict CH 3 O N H N H O S O O NH 2 Ki = 0.8 nM 363.44 CCCCOc1ccc(NC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1 Homo sapiens CHEMBL1693046 single protein format
CHEMBL76956 OBDepict O N H F F F F S O O NH 2 Ki = 0.8 nM 348.28 NS(=O)(=O)c1cccc(NC(=O)c2c(F)c(F)cc(F)c2F)c1 Homo sapiens CHEMBL657968 single protein format
CHEMBL4543156 OBDepict O N H N H O Cl F F F S O O NH 2 Ki = 0.8 nM 409.77 NS(=O)(=O)Oc1cccc(NC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c1 Homo sapiens CHEMBL4368293 single protein format
CHEMBL4539997 OBDepict Cl N N O CH 3 O S O O NH 2 Ki = 0.81 nM 393.85 CC(=O)N1N=C(c2ccc(Cl)cc2)CC1c1cccc(OS(N)(=O)=O)c1 Homo sapiens CHEMBL4363549 single protein format
CHEMBL3402964 OBDepict F F O F F F S O O NH 2 Ki = 0.86 nM 353.27 NS(=O)(=O)c1ccc(OCc2c(F)c(F)c(F)c(F)c2F)cc1 Homo sapiens CHEMBL3405434 single protein format
CHEMBL2337544 OBDepict CH 3 O N H O N S O O NH 2 Ki = 0.86 nM 357.39 COc1ccc(/C=C(C#N)C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1 Homo sapiens CHEMBL2339499 single protein format
CHEMBL4278541 OBDepict Br Se N S O O NH 2 Ki = 0.87 nM 442.2 NS(=O)(=O)c1ccc(-c2ncc(-c3ccc(Br)cc3)[se]2)cc1 Homo sapiens CHEMBL4275753 single protein format
CHEMBL4440046 OBDepict H 2 N S O O N N O S Ki = 0.88 nM 307.36 NS(=O)(=O)c1cccc(-c2noc(-c3ccsc3)n2)c1 Homo sapiens CHEMBL4423249 single protein format
CHEMBL4169089 OBDepict O CH 3 H 3 C N N S O O NH 2 Ki = 0.88 nM 319.39 CC1(C)CC(=O)c2cnn(-c3ccc(S(N)(=O)=O)cc3)c2C1 Homo sapiens CHEMBL4150372 single protein format
CHEMBL4290136 OBDepict H 3 C O Te Se N S O O NH 2 Ki = 0.89 nM 534.95 COc1ccc([Te]Cc2cnc(-c3ccc(S(N)(=O)=O)cc3)[se]2)cc1 Homo sapiens CHEMBL4275753 single protein format
CHEMBL3402971 OBDepict NH 2 S O O N S O Ki = 0.89 nM 320.39 NS(=O)(=O)c1nc2ccc(OCc3ccccc3)cc2s1 Homo sapiens CHEMBL3405434 single protein format
CHEMBL4161917 OBDepict O CH 3 CH 3 N N N H S O O NH 2 Ki = 0.89 nM 346.41 CC1(C)CC(=O)c2cnc(Nc3ccc(S(N)(=O)=O)cc3)nc2C1 Homo sapiens CHEMBL4150372 single protein format
CHEMBL4092504 OBDepict F N O H 3 C N S H 3 C S O O H 2 N Ki = 0.9 nM 419.5 Cc1nc(N(C)C(=O)Cc2ccc(-c3cccc(F)c3)cc2)sc1S(N)(=O)=O Homo sapiens CHEMBL4010467 single protein format
CHEMBL1614844 OBDepict O N H N H + N O _ O S O O NH 2 Ki = 0.9 nM 336.33 NS(=O)(=O)c1ccc(NC(=O)Nc2cccc([N+](=O)[O-])c2)cc1 Homo sapiens CHEMBL1693046 single protein format
CHEMBL4090611 OBDepict O N H 3 C N S H 3 C S O O H 2 N Ki = 0.9 nM 401.51 Cc1nc(N(C)C(=O)Cc2ccc(-c3ccccc3)cc2)sc1S(N)(=O)=O Homo sapiens CHEMBL4010467 single protein format
CHEMBL3601534 OBDepict CH 3 N N NH O O S O O H 2 N Ki = 0.91 nM 390.47 Cc1cccc(N2CCN(C(=O)Nc3ccc(OS(N)(=O)=O)cc3)CC2)c1 Homo sapiens CHEMBL3602144 single protein format
CHEMBL3400798 OBDepict _ S S N H OH + K Ki = 0.91 nM 189.35 OCCCNC(=S)[S-].[K+] Homo sapiens CHEMBL3406378 assay format
CHEMBL3400816 OBDepict _ S N H S S O O NH 2 + Na Ki = 0.91 nM 298.39 NS(=O)(=O)c1ccc(CCNC(=S)[S-])cc1.[Na+] Homo sapiens CHEMBL3406378 assay format
CHEMBL3400804 OBDepict _ S N S + K Ki = 0.92 nM 199.38 S=C([S-])N1CCCCC1.[K+] Homo sapiens CHEMBL3406378 assay format
CHEMBL2337543 OBDepict N HN O + N S O _ O O O H 2 N Ki = 0.93 nM 372.36 N#C/C(=Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 Homo sapiens CHEMBL2339499 single protein format
CHEMBL3956725 OBDepict F F F S S S O O NH 2 Ki = 0.94 nM 353.41 NS(=O)(=O)c1ccc(SCc2ccc(C(F)(F)F)cc2)s1 Homo sapiens CHEMBL3874965 single protein format
CHEMBL2337133 OBDepict N HN O O O CH 3 CH 3 O S CH 3 O O H 2 N Ki = 0.96 nM 417.44 COc1cc(OC)c(OC)cc1/C=C(C#N)C(=O)Nc1ccc(S(N)(=O)=O)cc1 Homo sapiens CHEMBL2339499 single protein format
CHEMBL1813209 OBDepict Cl N N N H N HN CH 3 O OH S O O NH 2 Ki = 0.96 nM 372.79 CC(Nc1nc(Cl)nc(Nc2ccc(S(N)(=O)=O)cc2)n1)C(=O)O Homo sapiens CHEMBL1815533 single protein format
CHEMBL3400811 OBDepict _ S N S HN O CH 3 CH 3 CH 3 + K Ki = 0.97 nM 298.52 CC(C)(C)C(=O)NC1CCCN(C(=S)[S-])C1.[K+] Homo sapiens CHEMBL3406378 assay format
CHEMBL3400799 OBDepict OH N H S _ S + K Ki = 0.97 nM 203.37 OCCCCNC(=S)[S-].[K+] Homo sapiens CHEMBL3406378 assay format
CHEMBL18 OBDepict CH 3 O S N S O O NH 2 IC50 = 0.99 nM 258.32 CCOc1ccc2nc(S(N)(=O)=O)sc2c1 Homo sapiens CHEMBL2394009 single protein format
CHEMBL4084758 OBDepict O N N S CH 3 S O O NH 2 Ki = 1.0 nM 427.55 Cc1nc(N(C(=O)Cc2ccc(-c3ccccc3)cc2)C2CC2)sc1S(N)(=O)=O Homo sapiens CHEMBL4010467 single protein format
CHEMBL364754 OBDepict NH 2 N N N H N H 2 N S O O NH 2 Ki = 1.0 nM 309.36 Nc1nc(N)nc(NCCc2ccc(S(N)(=O)=O)cc2)n1 Homo sapiens CHEMBL828906 single protein format
CHEMBL189526 OBDepict HO O N H N N N H N Cl S O O NH 2 Ki = 1.0 nM 386.82 NS(=O)(=O)c1ccc(CCNc2nc(Cl)nc(NCC(=O)O)n2)cc1 Homo sapiens CHEMBL828906 single protein format
CHEMBL2402757 OBDepict O N H Br S O O NH 2 Ki = 1.0 nM 383.27 NS(=O)(=O)c1ccc(CNC(=O)Cc2ccccc2Br)cc1 Homo sapiens CHEMBL2415308 single protein format
CHEMBL1836407 OBDepict F S O O NH 2 Ki = 1.0 nM 275.3 NS(=O)(=O)c1cccc(C#Cc2cccc(F)c2)c1 Homo sapiens CHEMBL1839823 single protein format
CHEMBL3633555 OBDepict H 3 C NH N O S O O H 2 N Ki = 1.1 nM 315.35 Cc1ccc2c(c1)/C(=N/c1cccc(S(N)(=O)=O)c1)C(=O)N2 Homo sapiens CHEMBL3636833 single protein format
CHEMBL184107 OBDepict CH 3 N H N N N H N N H H 3 C S O O NH 2 Ki = 1.1 nM 337.41 CNc1nc(NC)nc(NCCc2ccc(S(N)(=O)=O)cc2)n1 Homo sapiens CHEMBL828796 assay format
CHEMBL4483503 OBDepict NH 2 S O O S N N O Ki = 1.1 nM 307.36 NS(=O)(=O)c1cc(-c2noc(-c3ccccc3)n2)cs1 Homo sapiens CHEMBL4423249 single protein format
CHEMBL1836405 OBDepict CH 3 S O O H 2 N Ki = 1.1 nM 271.34 Cc1ccc(C#Cc2cccc(S(N)(=O)=O)c2)cc1 Homo sapiens CHEMBL1839823 single protein format