HOME LIGAND hPROTEOME OTHERS DOCUMENT

Q9Y2D0 | CAH5B_HUMAN | "Carbonic anhydrase 5B, mitochondrial" (CA5B)

3D structures mapped by conservation among orthologs



[ Alpha Fold Model ] (go)


Known binders annotated in ChEMBL

Ki table

molecule_chembl_id structure assay_type relation values units mol_wt smiles organism assay_chembl_id bao_label
CHEMBL4163634 OBDepict H 3 C O Se S O O NH 2 Ki = 5.5 nM 294.23 COCC[Se]c1ccc(S(N)(=O)=O)cc1 Homo sapiens CHEMBL4149854 single protein format
CHEMBL4159870 OBDepict N Se S O O NH 2 Ki = 5.7 nM 261.16 N#C[Se]c1ccc(S(N)(=O)=O)cc1 Homo sapiens CHEMBL4149854 single protein format
CHEMBL4165154 OBDepict CH 3 Se H 3 C S O O NH 2 Ki = 5.7 nM 278.24 CC(C)[Se]c1ccc(S(N)(=O)=O)cc1 Homo sapiens CHEMBL4149854 single protein format
CHEMBL4161289 OBDepict NH 2 S O O Se Se S O O NH 2 Ki = 5.7 nM 470.29 NS(=O)(=O)c1ccc([Se][Se]c2ccc(S(N)(=O)=O)cc2)cc1 Homo sapiens CHEMBL4149854 single protein format
CHEMBL574021 OBDepict O N H Br S O O NH 2 Ki = 5.9 nM 369.24 NS(=O)(=O)c1ccc(NC(=O)Cc2ccccc2)c(Br)c1 Homo sapiens CHEMBL1046600 single protein format
CHEMBL582841 OBDepict O N H N S N S O O NH 2 Ki = 6.1 nM 298.35 NS(=O)(=O)c1nnc(NC(=O)Cc2ccccc2)s1 Homo sapiens CHEMBL1046600 single protein format
CHEMBL582965 OBDepict O N H N S O O NH 2 Ki = 6.8 nM 291.33 NS(=O)(=O)c1ccc(NC(=O)Cc2ccccn2)cc1 Homo sapiens CHEMBL1046600 single protein format
CHEMBL573127 OBDepict O N H S S O O NH 2 Ki = 7.0 nM 296.37 NS(=O)(=O)c1ccc(NC(=O)Cc2cccs2)cc1 Homo sapiens CHEMBL1046600 single protein format
CHEMBL574779 OBDepict O N H S S O O NH 2 Ki = 7.2 nM 310.4 NS(=O)(=O)c1ccc(CNC(=O)Cc2cccs2)cc1 Homo sapiens CHEMBL1046600 single protein format
CHEMBL1683475 OBDepict O S H 3 C CH 3 N O O S N CH 3 N S O O NH 2 Ki = 7.3 nM 408.53 Cn1nc(S(N)(=O)=O)s/c1=NS(=O)(=O)C[C@]12CCC(CC1=O)C2(C)C Homo sapiens CHEMBL1686238 single protein format
CHEMBL574780 OBDepict O N H S N S N S O O NH 2 Ki = 7.4 nM 304.38 NS(=O)(=O)c1nnc(NC(=O)Cc2cccs2)s1 Homo sapiens CHEMBL1046600 single protein format
CHEMBL1683474 OBDepict O S H 3 C CH 3 N O O S N CH 3 N S O O NH 2 Ki = 7.8 nM 408.53 Cn1nc(S(N)(=O)=O)s/c1=NS(=O)(=O)C[C@@]12CCC(CC1=O)C2(C)C Homo sapiens CHEMBL1686238 single protein format
CHEMBL574246 OBDepict O N H S F S O O NH 2 Ki = 7.9 nM 314.36 NS(=O)(=O)c1ccc(NC(=O)Cc2cccs2)c(F)c1 Homo sapiens CHEMBL1046600 single protein format
CHEMBL574782 OBDepict O N H S O O NH 2 Ki = 7.9 nM 290.34 NS(=O)(=O)c1ccc(NC(=O)Cc2ccccc2)cc1 Homo sapiens CHEMBL1046600 single protein format
CHEMBL583171 OBDepict O N H S S O O NH 2 Ki = 8.0 nM 324.43 NS(=O)(=O)c1ccc(CCNC(=O)Cc2cccs2)cc1 Homo sapiens CHEMBL1046600 single protein format
CHEMBL583971 OBDepict O N H Cl S O O NH 2 Ki = 8.1 nM 324.79 NS(=O)(=O)c1ccc(NC(=O)Cc2ccccc2)c(Cl)c1 Homo sapiens CHEMBL1046600 single protein format
CHEMBL575660 OBDepict O N H F S O O NH 2 Ki = 8.1 nM 308.33 NS(=O)(=O)c1ccc(NC(=O)Cc2ccccc2)c(F)c1 Homo sapiens CHEMBL1046600 single protein format
CHEMBL573859 OBDepict O N H S O O NH 2 Ki = 8.2 nM 318.4 NS(=O)(=O)c1ccc(CCNC(=O)Cc2ccccc2)cc1 Homo sapiens CHEMBL1046600 single protein format
CHEMBL574783 OBDepict O N H S O O NH 2 Ki = 8.3 nM 304.37 NS(=O)(=O)c1ccc(CNC(=O)Cc2ccccc2)cc1 Homo sapiens CHEMBL1046600 single protein format
CHEMBL573335 OBDepict O N H S Cl S O O NH 2 Ki = 8.6 nM 330.82 NS(=O)(=O)c1ccc(NC(=O)Cc2cccs2)c(Cl)c1 Homo sapiens CHEMBL1046600 single protein format
CHEMBL584387 OBDepict O N H S Br S O O NH 2 Ki = 8.7 nM 375.27 NS(=O)(=O)c1ccc(NC(=O)Cc2cccs2)c(Br)c1 Homo sapiens CHEMBL1046600 single protein format
CHEMBL1055 OBDepict O NH HO S Cl O O NH 2 Ki = 9.0 nM 338.77 NS(=O)(=O)c1cc(C2(O)NC(=O)c3ccccc32)ccc1Cl Homo sapiens CHEMBL1029734 single protein format
CHEMBL574245 OBDepict O N H N S O O NH 2 Ki = 9.0 nM 291.33 NS(=O)(=O)c1ccc(NC(=O)Cc2ccncc2)cc1 Homo sapiens CHEMBL1046600 single protein format
CHEMBL573381 OBDepict O N H N S O O NH 2 Ki = 9.3 nM 319.39 NS(=O)(=O)c1ccc(CCNC(=O)Cc2ccncc2)cc1 Homo sapiens CHEMBL1046600 single protein format
CHEMBL512809 OBDepict CH 3 O CH 3 N N N S O O NH 2 Ki = 10.5 nM 344.4 COc1ccc(-c2cn(-c3ccc(S(N)(=O)=O)cc3)nn2)c(C)c1 Homo sapiens CHEMBL976461 single protein format
CHEMBL469220 OBDepict CH 3 N N N S O O NH 2 Ki = 10.6 nM 314.37 Cc1ccc(-c2cn(-c3ccc(S(N)(=O)=O)cc3)nn2)cc1 Homo sapiens CHEMBL976461 single protein format
CHEMBL513184 OBDepict NH 2 S O O N N N Ki = 10.6 nM 300.34 NS(=O)(=O)c1ccc(-n2cc(-c3ccccc3)nn2)cc1 Homo sapiens CHEMBL976461 single protein format
CHEMBL468367 OBDepict F N N N S O O NH 2 Ki = 11.2 nM 318.33 NS(=O)(=O)c1ccc(-n2cc(-c3ccc(F)cc3)nn2)cc1 Homo sapiens CHEMBL976461 single protein format
CHEMBL445517 OBDepict CH 3 N N N S O O NH 2 Ki = 11.4 nM 314.37 Cc1ccccc1-c1cn(-c2ccc(S(N)(=O)=O)cc2)nn1 Homo sapiens CHEMBL976461 single protein format
CHEMBL469064 OBDepict NH 2 S O O N N N S O O NH 2 Ki = 11.9 nM 379.42 NS(=O)(=O)c1ccc(-c2cn(-c3ccc(S(N)(=O)=O)cc3)nn2)cc1 Homo sapiens CHEMBL976461 single protein format
CHEMBL4171921 OBDepict CH 3 Se S O O NH 2 Ki = 12.3 nM 306.29 CCCCC[Se]c1ccc(S(N)(=O)=O)cc1 Homo sapiens CHEMBL4149854 single protein format
CHEMBL4171524 OBDepict NH 2 S O O Se Ki = 12.7 nM 318.3 NS(=O)(=O)c1ccc([Se]C2CCCCC2)cc1 Homo sapiens CHEMBL4149854 single protein format
CHEMBL468839 OBDepict F F F N N N S O O NH 2 Ki = 12.9 nM 368.34 NS(=O)(=O)c1ccc(-n2cc(-c3ccccc3C(F)(F)F)nn2)cc1 Homo sapiens CHEMBL976461 single protein format
CHEMBL4161324 OBDepict H 3 C Se S O O NH 2 Ki = 16.8 nM 288.23 CC#CC[Se]c1ccc(S(N)(=O)=O)cc1 Homo sapiens CHEMBL4149854 single protein format
CHEMBL71611 OBDepict F H 2 N S Cl HN O O N S N S O O NH 2 Ki = 18.0 nM 387.83 Nc1c(F)cc(S(=O)(=O)Nc2nnc(S(N)(=O)=O)s2)cc1Cl Homo sapiens CHEMBL1211827 single protein format
CHEMBL26 OBDepict CH 3 N N H O O S CH 3 O O NH 2 Ki = 18.0 nM 341.43 CCN1CCCC1CNC(=O)c1cc(S(N)(=O)=O)ccc1OC Homo sapiens CHEMBL862671 single protein format
CHEMBL476937 OBDepict NH 2 S O O O S O O Ki = 18.0 nM 371.48 NS(=O)(=O)Oc1ccc2c(c1)S(=O)(=O)C(CC1CCCCCC1)=C2 Homo sapiens CHEMBL976327 single protein format
CHEMBL18 OBDepict CH 3 O S N S O O NH 2 Ki = 19.0 nM 258.32 CCOc1ccc2nc(S(N)(=O)=O)sc2c1 Homo sapiens CHEMBL862671 single protein format
CHEMBL4161665 OBDepict NH 2 S O O Se Ki = 19.1 nM 326.28 NS(=O)(=O)c1ccc(C[Se]c2ccccc2)cc1 Homo sapiens CHEMBL4149854 single protein format
CHEMBL17 OBDepict Cl Cl S S O O NH 2 O O NH 2 Ki = 21.0 nM 305.16 NS(=O)(=O)c1cc(Cl)c(Cl)c(S(N)(=O)=O)c1 Homo sapiens CHEMBL862671 single protein format
CHEMBL283695 OBDepict NH 2 S N H O O O O H O CH 3 H 3 C H O H O CH 3 CH 3 Ki = 21.0 nM 338.38 CC1(C)O[C@@H]2CO[C@@]3(CNS(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1 Homo sapiens CHEMBL856734 single protein format
CHEMBL4632673 OBDepict HO H O H N H N N N O N H 3 C H O O O S Cl O O NH 2 Ki = 22.6 nM 540.94 Cc1cn([C@H]2C[C@H](n3cc(COC(=O)c4ccc(Cl)c(S(N)(=O)=O)c4)nn3)[C@@H](CO)O2)c(=O)[nH]c1=O Homo sapiens CHEMBL4612650 single protein format
CHEMBL4175369 OBDepict HC Se S O O NH 2 Ki = 22.8 nM 274.2 C#CC[Se]c1ccc(S(N)(=O)=O)cc1 Homo sapiens CHEMBL4149854 single protein format
CHEMBL77517 OBDepict H N Cl HN S O O S O O NH 2 Ki = 23.0 nM 385.85 NS(=O)(=O)c1ccc(S(=O)(=O)Nc2cccc3c(Cl)c[nH]c23)cc1 Homo sapiens CHEMBL862671 single protein format
CHEMBL189526 OBDepict HO O N H N N N H N Cl S O O NH 2 Ki = 23.0 nM 386.82 NS(=O)(=O)c1ccc(CCNc2nc(Cl)nc(NCC(=O)O)n2)cc1 Homo sapiens CHEMBL1815538 single protein format
CHEMBL4100366 OBDepict CH 3 N S S N O O H 2 N CH 3 O N Ki = 23.8 nM 416.53 CCc1nc(N(C)C(=O)Cc2ccc(-c3ccccn3)cc2)sc1S(N)(=O)=O Homo sapiens CHEMBL4010466 single protein format
CHEMBL191045 OBDepict OH O HN N N N H N Cl S O O NH 2 Ki = 24.0 nM 372.79 NS(=O)(=O)c1ccc(CNc2nc(Cl)nc(NCC(=O)O)n2)cc1 Homo sapiens CHEMBL1815538 single protein format
CHEMBL266026 OBDepict NH 2 S NH O O S O O H 2 N Ki = 24.0 nM 341.41 Nc1ccc(S(=O)(=O)NCc2ccc(S(N)(=O)=O)cc2)cc1 Homo sapiens CHEMBL862671 single protein format
CHEMBL1683466 OBDepict O S CH 3 H 3 C N H O O S O O NH 2 Ki = 26.4 nM 386.5 CC1(C)C2CC[C@]1(CS(=O)(=O)Nc1ccc(S(N)(=O)=O)cc1)C(=O)C2 Homo sapiens CHEMBL1686238 single protein format
CHEMBL4634647 OBDepict OH H O H N H N N N O N CH 3 H N O O O S O O H 2 N Ki = 28.0 nM 519.5 Cc1cn([C@H]2C[C@H](n3cc(Cn4c(=O)oc5ccc(S(N)(=O)=O)cc54)nn3)[C@@H](CO)O2)c(=O)[nH]c1=O Homo sapiens CHEMBL4612650 single protein format
CHEMBL4637598 OBDepict HO H O H N H N N N O N H 3 C H N H O O S O O NH 2 Ki = 29.0 nM 505.51 Cc1cn([C@H]2C[C@H](n3cc(CNC(=O)c4ccc(S(N)(=O)=O)cc4)nn3)[C@@H](CO)O2)c(=O)[nH]c1=O Homo sapiens CHEMBL4612650 single protein format
CHEMBL268439 OBDepict H 2 N S HN O O N S N S O O NH 2 Ki = 30.0 nM 335.39 Nc1ccc(S(=O)(=O)Nc2nnc(S(N)(=O)=O)s2)cc1 Homo sapiens CHEMBL862671 single protein format
CHEMBL1683467 OBDepict O S CH 3 H 3 C N H O O S O O NH 2 Ki = 30.0 nM 386.5 CC1(C)C2CC[C@@]1(CS(=O)(=O)Nc1ccc(S(N)(=O)=O)cc1)C(=O)C2 Homo sapiens CHEMBL1686238 single protein format
CHEMBL220491 OBDepict CH 3 O N S O O H HN S CH 3 S O O NH 2 Ki = 30.0 nM 383.52 CCN[C@H]1CN(CCCOC)S(=O)(=O)c2sc(S(N)(=O)=O)cc21 Homo sapiens CHEMBL862671 single protein format
CHEMBL220492 OBDepict NH 2 S O O O O O H O CH 3 H 3 C H O H O CH 3 CH 3 Ki = 30.0 nM 339.37 CC1(C)O[C@@H]2CO[C@@]3(COS(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1 Homo sapiens CHEMBL862671 single protein format
CHEMBL360356 OBDepict Cl N S N S O O NH 2 Ki = 30.0 nM 275.74 NS(=O)(=O)c1nnc(-c2ccccc2Cl)s1 Homo sapiens CHEMBL862671 single protein format
CHEMBL4173057 OBDepict CH 3 Se S O O NH 2 Ki = 31.3 nM 250.18 C[Se]c1ccc(S(N)(=O)=O)cc1 Homo sapiens CHEMBL4149854 single protein format
CHEMBL218490 OBDepict CH 3 N H H H CH 3 S S O O S O O NH 2 Ki = 33.0 nM 324.45 CCN[C@H]1C[C@H](C)S(=O)(=O)c2sc(S(N)(=O)=O)cc21 Homo sapiens CHEMBL862671 single protein format
CHEMBL4102820 OBDepict CH 3 HN S O O S CH 3 N N O N H 3 C CH 3 Ki = 33.0 nM 472.64 CNS(=O)(=O)c1sc(N(CCN(C)C)C(=O)Cc2ccc(-c3ccccc3)cc2)nc1C Homo sapiens CHEMBL4010466 single protein format
CHEMBL73962 OBDepict O S HN O N S N S O O NH 2 Ki = 34.0 nM 320.38 NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccccc2)s1 Homo sapiens CHEMBL862671 single protein format
CHEMBL4092630 OBDepict O N CH 3 N S CH 3 S HN O O Ki = 34.9 nM 441.58 Cc1nc(N(C)C(=O)Cc2ccc(-c3ccccc3)cc2)sc1S(=O)(=O)NC1CC1 Homo sapiens CHEMBL4010466 single protein format
CHEMBL4159208 OBDepict NH 2 S O O Se Ki = 36.0 nM 340.31 NS(=O)(=O)c1ccc([Se]CCc2ccccc2)cc1 Homo sapiens CHEMBL4149854 single protein format
CHEMBL1683470 OBDepict O S CH 3 CH 3 N H O O S O O NH 2 Ki = 36.2 nM 414.55 CC1(C)C2CC[C@]1(CS(=O)(=O)NCCc1ccc(S(N)(=O)=O)cc1)C(=O)C2 Homo sapiens CHEMBL1686238 single protein format
CHEMBL4084865 OBDepict CH 3 HN S O O S CH 3 N N CH 3 O N ClH Ki = 37.8 nM 452.99 CNS(=O)(=O)c1sc(N(C)C(=O)Cc2ccc(-c3ccccn3)cc2)nc1C.Cl Homo sapiens CHEMBL4010466 single protein format
CHEMBL4633591 OBDepict OH H O H N H N N N O N H 3 C H N H O N H O S O O NH 2 Ki = 37.9 nM 520.53 Cc1cn([C@H]2C[C@H](n3cc(CNC(=O)Nc4ccc(S(N)(=O)=O)cc4)nn3)[C@@H](CO)O2)c(=O)[nH]c1=O Homo sapiens CHEMBL4612650 single protein format
CHEMBL1683472 OBDepict O S CH 3 H 3 C NH O O S O O H 2 N Ki = 38.4 nM 386.5 CC1(C)C2CC[C@]1(CS(=O)(=O)Nc1cccc(S(N)(=O)=O)c1)C(=O)C2 Homo sapiens CHEMBL1686238 single protein format
CHEMBL4639447 OBDepict OH H O H N H N N N O N CH 3 H O O O O Ki = 40.1 nM 495.49 Cc1cn([C@H]2C[C@H](n3cc(CCCOc4ccc5oc(=O)ccc5c4)nn3)[C@@H](CO)O2)c(=O)[nH]c1=O Homo sapiens CHEMBL4612650 single protein format
CHEMBL1683468 OBDepict O S CH 3 CH 3 NH O O S O O NH 2 Ki = 40.3 nM 400.52 CC1(C)C2CC[C@]1(CS(=O)(=O)NCc1ccc(S(N)(=O)=O)cc1)C(=O)C2 Homo sapiens CHEMBL1686238 single protein format
CHEMBL455271 OBDepict H N N N S S O O NH 2 Ki = 40.9 nM 280.33 NS(=O)(=O)c1ccc2[nH]c(-c3cscn3)nc2c1 Homo sapiens CHEMBL959282 single protein format
CHEMBL6685 OBDepict HO S N S O O NH 2 Ki = 41.0 nM 230.27 NS(=O)(=O)c1nc2ccc(O)cc2s1 Homo sapiens CHEMBL862671 single protein format
CHEMBL7146 OBDepict NH 2 S N H O O S O O H 2 N Ki = 42.0 nM 355.44 Nc1ccc(S(=O)(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1 Homo sapiens CHEMBL862671 single protein format
CHEMBL4644555 OBDepict OH H O H N H N N N O N CH 3 H O O O O Ki = 42.7 nM 495.49 Cc1cn([C@H]2C[C@H](n3cc(CCCOc4ccc5ccc(=O)oc5c4)nn3)[C@@H](CO)O2)c(=O)[nH]c1=O Homo sapiens CHEMBL4612650 single protein format
CHEMBL4638601 OBDepict OH H O H N H N N N O N CH 3 H O O O O Ki = 43.9 nM 509.52 Cc1cn([C@H]2C[C@H](n3cc(CCCCOc4ccc5ccc(=O)oc5c4)nn3)[C@@H](CO)O2)c(=O)[nH]c1=O Homo sapiens CHEMBL4612650 single protein format
CHEMBL4649280 OBDepict OH H O H N H N N N O N CH 3 H O O O O Ki = 44.0 nM 509.52 Cc1cn([C@H]2C[C@H](n3cc(CCCCOc4cc(=O)oc5ccccc45)nn3)[C@@H](CO)O2)c(=O)[nH]c1=O Homo sapiens CHEMBL4612650 single protein format
CHEMBL1683473 OBDepict O S CH 3 H 3 C NH O O S O O H 2 N Ki = 44.3 nM 386.5 CC1(C)C2CC[C@@]1(CS(=O)(=O)Nc1cccc(S(N)(=O)=O)c1)C(=O)C2 Homo sapiens CHEMBL1686238 single protein format
CHEMBL4164747 OBDepict CH 2 Se S O O NH 2 Ki = 45.1 nM 276.22 C=CC[Se]c1ccc(S(N)(=O)=O)cc1 Homo sapiens CHEMBL4149854 single protein format
CHEMBL4062048 OBDepict O N H 3 C N S H 3 C S O O H 2 N N N Ki = 45.6 nM 403.49 Cc1nc(N(C)C(=O)Cc2ccc(-c3cnccn3)cc2)sc1S(N)(=O)=O Homo sapiens CHEMBL4010466 single protein format
CHEMBL4176433 OBDepict HO Se S O O NH 2 Ki = 46.8 nM 280.21 NS(=O)(=O)c1ccc([Se]CCO)cc1 Homo sapiens CHEMBL4149854 single protein format
CHEMBL4063105 OBDepict CH 3 N H 3 C N N S O H 3 C S O O NH 2 Ki = 47.0 nM 458.61 Cc1nc(N(CCN(C)C)C(=O)Cc2ccc(-c3ccccc3)cc2)sc1S(N)(=O)=O Homo sapiens CHEMBL4010466 single protein format
CHEMBL1956578 OBDepict OH N O CH 3 H 3 C Ki = 47.0 nM 139.15 Cc1cc(C)o/c(=N/O)c1 Homo sapiens CHEMBL1960514 single protein format
CHEMBL4643353 OBDepict OH H O H N H N N N O N CH 3 H N H O NH O S O O H 2 N Ki = 47.8 nM 520.53 Cc1cn([C@H]2C[C@H](n3cc(CNC(=O)Nc4cccc(S(N)(=O)=O)c4)nn3)[C@@H](CO)O2)c(=O)[nH]c1=O Homo sapiens CHEMBL4612650 single protein format
CHEMBL4092504 OBDepict F N O H 3 C N S H 3 C S O O H 2 N Ki = 49.1 nM 419.5 Cc1nc(N(C)C(=O)Cc2ccc(-c3cccc(F)c3)cc2)sc1S(N)(=O)=O Homo sapiens CHEMBL4010466 single protein format
CHEMBL513185 OBDepict CH 3 O N N N S O O NH 2 Ki = 51.8 nM 330.37 COc1ccc(-c2cn(-c3ccc(S(N)(=O)=O)cc3)nn2)cc1 Homo sapiens CHEMBL976461 single protein format
CHEMBL467979 OBDepict F H 3 C N N N S O O NH 2 Ki = 52.3 nM 332.36 Cc1cc(-c2cn(-c3ccc(S(N)(=O)=O)cc3)nn2)ccc1F Homo sapiens CHEMBL976461 single protein format
CHEMBL4645735 OBDepict OH H O H N H N N N O N CH 3 H S O S O O H 2 N Ki = 52.6 nM 494.56 Cc1cn([C@H]2C[C@H](n3cc(CSc4ccc(S(N)(=O)=O)cc4)nn3)[C@@H](CO)O2)c(=O)[nH]c1=O Homo sapiens CHEMBL4612650 single protein format
CHEMBL4636750 OBDepict OH H O H N H N N N O N CH 3 H HN O S O O H 2 N Ki = 52.6 nM 477.5 Cc1cn([C@H]2C[C@H](n3cc(CNc4ccc(S(N)(=O)=O)cc4)nn3)[C@@H](CO)O2)c(=O)[nH]c1=O Homo sapiens CHEMBL4612650 single protein format
CHEMBL4799997 OBDepict F F N O N S O O NH 2 Ki = 54.0 nM 353.35 NS(=O)(=O)c1ccc(N2CCN(c3ccc(F)cc3F)C2=O)cc1 Homo sapiens CHEMBL4736952 assay format
CHEMBL20 OBDepict CH 3 N H O N S N S O O NH 2 Ki = 54.0 nM 222.25 CC(=O)Nc1nnc(S(N)(=O)=O)s1 Homo sapiens CHEMBL862671 single protein format
CHEMBL4281852 OBDepict CH 3 Se Se N S O O NH 2 Ki = 54.1 nM 470.31 Cc1ccc([Se]Cc2cnc(-c3ccc(S(N)(=O)=O)cc3)[se]2)cc1 Homo sapiens CHEMBL4275752 single protein format
CHEMBL1683471 OBDepict O S CH 3 CH 3 N H O O S O O NH 2 Ki = 54.1 nM 414.55 CC1(C)C2CC[C@@]1(CS(=O)(=O)NCCc1ccc(S(N)(=O)=O)cc1)C(=O)C2 Homo sapiens CHEMBL1686238 single protein format
CHEMBL4632724 OBDepict HO H O H N H N N N O N H 3 C H O O O S O O NH 2 Ki = 54.2 nM 506.5 Cc1cn([C@H]2C[C@H](n3cc(COC(=O)c4ccc(S(N)(=O)=O)cc4)nn3)[C@@H](CO)O2)c(=O)[nH]c1=O Homo sapiens CHEMBL4612650 single protein format
CHEMBL469221 OBDepict CH 3 N N N S O O NH 2 Ki = 54.2 nM 314.37 Cc1cccc(-c2cn(-c3ccc(S(N)(=O)=O)cc3)nn2)c1 Homo sapiens CHEMBL976461 single protein format
CHEMBL4648357 OBDepict OH H O H N H N N N O N CH 3 H O O O S O O Ki = 54.6 nM 503.49 Cc1cn([C@H]2C[C@H](n3cc(COc4ccc5c(c4)C=CS(=O)(=O)O5)nn3)[C@@H](CO)O2)c(=O)[nH]c1=O Homo sapiens CHEMBL4612650 single protein format
CHEMBL4090611 OBDepict O N H 3 C N S H 3 C S O O H 2 N Ki = 55.1 nM 401.51 Cc1nc(N(C)C(=O)Cc2ccc(-c3ccccc3)cc2)sc1S(N)(=O)=O Homo sapiens CHEMBL4010466 single protein format
CHEMBL222837 OBDepict NH 2 S O O N + N _ N Ki = 55.8 nM 198.21 [N-]=[N+]=Nc1ccc(S(N)(=O)=O)cc1 Homo sapiens CHEMBL976461 single protein format
CHEMBL4089153 OBDepict H 3 C O F N O H 3 C N S H 3 C S O O NH 2 Ki = 56.7 nM 449.53 COc1c(F)cccc1-c1ccc(CC(=O)N(C)c2nc(C)c(S(N)(=O)=O)s2)cc1 Homo sapiens CHEMBL4010466 single protein format
CHEMBL4090091 OBDepict O N H 3 C N S H 3 C S O O H 2 N N N Ki = 58.0 nM 391.48 Cc1nc(N(C)C(=O)Cc2ccc(-n3cccn3)cc2)sc1S(N)(=O)=O Homo sapiens CHEMBL4010466 single protein format
CHEMBL1956579 OBDepict OH N O Ki = 58.0 nM 161.16 O/N=c1/ccc2ccccc2o1 Homo sapiens CHEMBL1960514 single protein format
CHEMBL4064934 OBDepict HO N H S O O S CH 3 N N CH 3 O Ki = 58.2 nM 445.57 Cc1nc(N(C)C(=O)Cc2ccc(-c3ccccc3)cc2)sc1S(=O)(=O)NCCO Homo sapiens CHEMBL4010466 single protein format
CHEMBL1214195 OBDepict NH 2 NH Ki = 61.0 nM 186.26 NCCNc1cccc2ccccc12 Homo sapiens CHEMBL1217099 single protein format