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O43570 | CAH12_HUMAN | Carbonic anhydrase 12 (CA12)

3D structures mapped by conservation among orthologs

[ Domain: "Carbonic anhydrase" // Carb_anhydrase ]

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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
CHEMBL2402776 OBDepict H 3 C O N H O Cl S O O NH 2 Ki = 0.24 nM 354.82 COc1ccc(CC(=O)Nc2ccc(S(N)(=O)=O)cc2Cl)cc1 Homo sapiens CHEMBL2415307 single protein format
CHEMBL4793920 OBDepict O N H N H N N H 2 N N O N S O O NH 2 Ki = 0.263 nM 572.65 Nc1nc(-c2ccc(NC(=O)CCNCCc3ccc(S(N)(=O)=O)cc3)cc2)cn2c(=O)n(-c3ccccc3)nc12 Homo sapiens CHEMBL4708448 single protein format
CHEMBL419 OBDepict NH 2 S O O NH 2 Ki = 0.3 nM 186.24 NCc1ccc(S(N)(=O)=O)cc1 Homo sapiens CHEMBL827186 single protein format
CHEMBL359768 OBDepict CH 3 N H O S O O NH 2 Ki = 0.32 nM 254.31 CC(=O)NC1CCc2cc(S(N)(=O)=O)ccc21 Homo sapiens CHEMBL1009246 single protein format
CHEMBL366069 OBDepict Cl N N N H N Cl S O O NH 2 Ki = 0.35 nM 320.16 NS(=O)(=O)c1ccc(Nc2nc(Cl)nc(Cl)n2)cc1 Homo sapiens CHEMBL1815534 single protein format
CHEMBL4861411 OBDepict CH 3 N N N N O H 3 C N N N S O O NH 2 Ki = 0.36 nM 444.52 Cc1cc(OCc2cn(-c3ccc(S(N)(=O)=O)cc3)nn2)nc(N2CCN(C)CC2)n1 Homo sapiens CHEMBL4809955 single protein format
CHEMBL500454 OBDepict CH 3 O NH O Cl S O O NH 2 Ki = 0.36 nM 380.85 COc1ccc(Cl)cc1C(=O)NC1Cc2ccc(S(N)(=O)=O)cc2C1 Homo sapiens CHEMBL1009246 single protein format
CHEMBL364869 OBDepict NH 2 S O O Ki = 0.39 nM 197.26 NS(=O)(=O)c1ccc2c(c1)CCC2 Homo sapiens CHEMBL1009246 single protein format
CHEMBL1518649 OBDepict H 3 C O N H O S O O NH 2 Ki = 0.43 nM 348.42 COc1ccc(CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1 Homo sapiens CHEMBL2415307 single protein format
CHEMBL364127 OBDepict Cl HN O S O O NH 2 Ki = 0.44 nM 350.83 NS(=O)(=O)c1ccc2c(c1)CC(NC(=O)c1ccc(Cl)cc1)C2 Homo sapiens CHEMBL1009246 single protein format
CHEMBL3601892 OBDepict NH 2 S O O N S N S Ki = 0.46 nM 419.6 NS(=O)(=O)c1ccc(/N=c2scc(-c3cccs3)n2C2CCCCC2)cc1 Homo sapiens CHEMBL3602575 single protein format
CHEMBL3764657 OBDepict H 3 C O N H N O NH O S O O NH 2 Ki = 0.47 nM 450.48 COc1ccc2c(c1)/C(=N/c1ccc(C(=O)Nc3ccc(S(N)(=O)=O)cc3)cc1)C(=O)N2 Homo sapiens CHEMBL3767222 single protein format
CHEMBL3828241 OBDepict CH 3 O N O N HS S O O NH 2 Ki = 0.47 nM 391.47 COc1ccc2c(=O)n(CCc3ccc(S(N)(=O)=O)cc3)c(S)nc2c1 Homo sapiens CHEMBL3830277 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 = 0.5 nM 553.64 NS(=O)(=O)Nc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCCc3ccc(S(N)(=O)=O)cc3)cc2)cc1 Homo sapiens CHEMBL2166493 single protein format
CHEMBL2107036 OBDepict O N H O HO S O O NH 2 Ki = 0.52 nM 272.28 NS(=O)(=O)c1ccc(NC(=O)CCC(=O)O)cc1 Homo sapiens CHEMBL3825325 single protein format
CHEMBL520850 OBDepict O N O S O O NH 2 Ki = 0.53 nM 302.31 NS(=O)(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1 Homo sapiens CHEMBL3387075 single protein format
CHEMBL2337134 OBDepict N HN O O O CH 3 CH 3 O S CH 3 O O H 2 N Ki = 0.53 nM 417.44 COc1cc(OC)c(/C=C(C#N)C(=O)Nc2ccc(S(N)(=O)=O)cc2)c(OC)c1 Homo sapiens CHEMBL2339498 single protein format
CHEMBL3827651 OBDepict CH 3 O N O N HS S O O NH 2 Ki = 0.54 nM 391.47 COc1ccc2nc(S)n(CCc3ccc(S(N)(=O)=O)cc3)c(=O)c2c1 Homo sapiens CHEMBL3830277 single protein format
CHEMBL3764098 OBDepict Cl N H N O N H O S O O NH 2 Ki = 0.54 nM 454.9 NS(=O)(=O)c1ccc(NC(=O)c2ccc(/N=C3C(=O)Nc4ccc(Cl)cc43)cc2)cc1 Homo sapiens CHEMBL3767222 single protein format
CHEMBL3601461 OBDepict H 3 C O N N O CH 3 CH 3 N Cl N S O O NH 2 Ki = 0.54 nM 487.97 COc1ccc(C2=NN(C(C)=O)C(c3c(C)nn(-c4ccc(S(N)(=O)=O)cc4)c3Cl)C2)cc1 Homo sapiens CHEMBL3602839 single protein format
CHEMBL3828207 OBDepict Cl N O N SH S O O NH 2 Ki = 0.54 nM 395.89 NS(=O)(=O)c1ccc(CCn2c(S)nc3ccc(Cl)cc3c2=O)cc1 Homo sapiens CHEMBL3830277 single protein format
CHEMBL3804902 OBDepict F N N N N H S N S O O NH 2 O O Ki = 0.54 nM 586.63 NS(=O)(=O)c1ccc(-n2cc(/C=NNc3nc(-c4cc5ccccc5oc4=O)cs3)c(-c3ccc(F)cc3)n2)cc1 Homo sapiens CHEMBL3806794 single protein format
CHEMBL2402754 OBDepict H 3 C O N H O Br S O O NH 2 Ki = 0.54 nM 399.27 COc1ccc(CC(=O)Nc2ccc(S(N)(=O)=O)cc2Br)cc1 Homo sapiens CHEMBL2415307 single protein format
CHEMBL4858154 OBDepict CH 3 N N N N O H 3 C N N N S O O NH 2 Ki = 0.55 nM 458.55 CCN1CCN(c2nc(C)cc(OCc3cn(-c4ccc(S(N)(=O)=O)cc4)nn3)n2)CC1 Homo sapiens CHEMBL4809955 single protein format
CHEMBL2377786 OBDepict O N O S O O NH 2 Ki = 0.55 nM 316.34 NS(=O)(=O)c1ccc(CN2C(=O)c3ccccc3C2=O)cc1 Homo sapiens CHEMBL3387075 single protein format
CHEMBL4461878 OBDepict HO N N H O N S N S O O NH 2 Ki = 0.56 nM 341.37 NS(=O)(=O)c1nnc(NC(=O)/C(Cc2ccccc2)=N/O)s1 Homo sapiens CHEMBL4334866 assay format
CHEMBL3601462 OBDepict F N N O CH 3 CH 3 N Cl N S O O NH 2 Ki = 0.57 nM 475.93 CC(=O)N1N=C(c2ccc(F)cc2)CC1c1c(C)nn(-c2ccc(S(N)(=O)=O)cc2)c1Cl Homo sapiens CHEMBL3602839 single protein format
CHEMBL4098958 OBDepict I N O N SH S O O NH 2 Ki = 0.57 nM 459.29 NS(=O)(=O)c1cccc(-n2c(S)nc3ccc(I)cc3c2=O)c1 Homo sapiens CHEMBL4026024 single protein format
CHEMBL2377784 OBDepict H O N H O S O O NH 2 Ki = 0.57 nM 306.34 NS(=O)(=O)c1ccc(N2C(=O)[C@H]3CC=CC[C@H]3C2=O)cc1 Homo sapiens CHEMBL3387075 single protein format
CHEMBL2337544 OBDepict CH 3 O N H O N S O O NH 2 Ki = 0.57 nM 357.39 COc1ccc(/C=C(C#N)C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1 Homo sapiens CHEMBL2339498 single protein format
CHEMBL2402756 OBDepict O N H Cl S O O NH 2 Ki = 0.57 nM 338.82 NS(=O)(=O)c1ccc(CNC(=O)Cc2ccc(Cl)cc2)cc1 Homo sapiens CHEMBL2415307 single protein format
CHEMBL3601459 OBDepict H 3 C N O N CH 3 N Cl N S O O NH 2 Ki = 0.58 nM 457.94 CC(=O)N1N=C(c2ccccc2)CC1c1c(C)nn(-c2ccc(S(N)(=O)=O)cc2)c1Cl Homo sapiens CHEMBL3602839 single protein format
CHEMBL3765057 OBDepict Br N H N O N H O S O O NH 2 Ki = 0.58 nM 499.35 NS(=O)(=O)c1ccc(NC(=O)c2ccc(/N=C3C(=O)Nc4ccc(Br)cc43)cc2)cc1 Homo sapiens CHEMBL3767222 single protein format
CHEMBL3763192 OBDepict H 3 C CH 3 S O O NH 2 Ki = 0.58 nM 275.37 CC(C)c1ccccc1-c1ccc(S(N)(=O)=O)cc1 Homo sapiens CHEMBL3766370 single protein format
CHEMBL3765495 OBDepict O S O O NH 2 Ki = 0.58 nM 261.3 NS(=O)(=O)c1ccc(-c2cccc(C=O)c2)cc1 Homo sapiens CHEMBL3766370 single protein format
CHEMBL2337132 OBDepict N HN O O O CH 3 O CH 3 S CH 3 O O H 2 N Ki = 0.59 nM 417.44 COc1cc(/C=C(C#N)C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc(OC)c1OC Homo sapiens CHEMBL2339498 single protein format
CHEMBL3323211 OBDepict O N H N H N H S O O + N Cl O _ O S O O NH 2 Ki = 0.59 nM 449.85 NS(=O)(=O)c1ccc(NC(=O)NNS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 Homo sapiens CHEMBL3362530 single protein format
CHEMBL1433252 OBDepict H N S N O S O O NH 2 Ki = 0.59 nM 361.45 NS(=O)(=O)c1ccc(CCn2c(=S)[nH]c3ccccc3c2=O)cc1 Homo sapiens CHEMBL3830277 single protein format
CHEMBL2377770 OBDepict O N O Cl Cl Cl Cl S O O NH 2 Ki = 0.6 nM 440.09 NS(=O)(=O)c1ccc(N2C(=O)c3c(Cl)c(Cl)c(Cl)c(Cl)c3C2=O)cc1 Homo sapiens CHEMBL3387075 single protein format
CHEMBL1594453 OBDepict N N H O O H 3 C S O O NH 2 Ki = 0.6 nM 357.39 COc1ccccc1/C=C(C#N)C(=O)Nc1ccc(S(N)(=O)=O)cc1 Homo sapiens CHEMBL2339498 single protein format
CHEMBL3763877 OBDepict H 3 C O O CH 3 O O N N H 3 C HS S O O NH 2 Ki = 0.6 nM 423.47 COc1cc2c(=O)n(-c3ccc(S(N)(=O)=O)cc3)c(S)nc2c(OC)c1OC Homo sapiens CHEMBL3767107 single protein format
CHEMBL3765657 OBDepict HS N N O CH 3 S O O NH 2 Ki = 0.6 nM 347.42 Cc1cccc2c(=O)n(-c3ccc(S(N)(=O)=O)cc3)c(S)nc12 Homo sapiens CHEMBL3767107 single protein format
CHEMBL2377783 OBDepict H O N H O S O O NH 2 Ki = 0.6 nM 320.37 NS(=O)(=O)c1ccc(CN2C(=O)[C@H]3CC=CC[C@H]3C2=O)cc1 Homo sapiens CHEMBL3387075 single protein format
CHEMBL4637053 OBDepict NH 2 N N O F S O O NH 2 Ki = 0.6 nM 526.68 NCCCN(CCc1ccccc1)CC(=O)N(CCc1ccc(S(N)(=O)=O)cc1)Cc1ccc(F)cc1 Homo sapiens CHEMBL4616541 single protein format
CHEMBL3828646 OBDepict CH 3 N HS N O S O O NH 2 Ki = 0.61 nM 375.48 Cc1cccc2c(=O)n(CCc3ccc(S(N)(=O)=O)cc3)c(S)nc12 Homo sapiens CHEMBL3830277 single protein format
CHEMBL3805919 OBDepict Br O O N CH 3 NH S O O H 2 N Ki = 0.62 nM 436.29 C/C(=NNc1ccc(S(N)(=O)=O)cc1)c1cc2cc(Br)ccc2oc1=O Homo sapiens CHEMBL3806794 single protein format
CHEMBL1383680 OBDepict F N O N H S S O O NH 2 Ki = 0.62 nM 379.44 NS(=O)(=O)c1ccc(CCn2c(=S)[nH]c3ccc(F)cc3c2=O)cc1 Homo sapiens CHEMBL3830277 single protein format
CHEMBL2402771 OBDepict O N H Br F S O O NH 2 Ki = 0.62 nM 387.23 NS(=O)(=O)c1ccc(NC(=O)Cc2ccccc2Br)c(F)c1 Homo sapiens CHEMBL2415307 single protein format
CHEMBL2402764 OBDepict CH 3 O N H O N S N S O O H 2 N Ki = 0.63 nM 328.38 COc1ccc(CC(=O)Nc2nnc(S(N)(=O)=O)s2)cc1 Homo sapiens CHEMBL2415307 single protein format
CHEMBL2377781 OBDepict O N O S O O NH 2 Ki = 0.63 nM 254.27 NS(=O)(=O)c1ccc(N2C(=O)CCC2=O)cc1 Homo sapiens CHEMBL3387075 single protein format
CHEMBL3323207 OBDepict O N H HN NH S O O Cl S O O NH 2 Ki = 0.63 nM 404.86 NS(=O)(=O)c1ccc(NC(=O)NNS(=O)(=O)c2ccc(Cl)cc2)cc1 Homo sapiens CHEMBL3362530 single protein format
CHEMBL3765390 OBDepict H 3 C N H N O NH O S O O NH 2 Ki = 0.63 nM 434.48 Cc1ccc2c(c1)/C(=N/c1ccc(C(=O)Nc3ccc(S(N)(=O)=O)cc3)cc1)C(=O)N2 Homo sapiens CHEMBL3767222 single protein format
CHEMBL3763750 OBDepict O N H N H S N O O NH 2 O N H + N O _ O Ki = 0.64 nM 480.46 NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(/N=C3C(=O)Nc4ccc([N+](=O)[O-])cc43)cc2)cc1 Homo sapiens CHEMBL3767222 single protein format
CHEMBL3828667 OBDepict F N O N SH S O O NH 2 Ki = 0.64 nM 379.44 NS(=O)(=O)c1ccc(CCn2c(S)nc3cc(F)ccc3c2=O)cc1 Homo sapiens CHEMBL3830277 single protein format
CHEMBL2337539 OBDepict N S N N H O N O H 3 C S O O NH 2 Ki = 0.64 nM 441.49 CC(=O)C1=NN(c2ccccc2)/C(=C(C#N)C(=O)Nc2ccc(S(N)(=O)=O)cc2)S1 Homo sapiens CHEMBL2339498 single protein format
CHEMBL2402768 OBDepict H 3 C O N H O S O O NH 2 Ki = 0.64 nM 320.37 COc1ccc(CC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1 Homo sapiens CHEMBL2415307 single protein format
CHEMBL3827113 OBDepict CH 3 O O CH 3 N O N HS S O O NH 2 Ki = 0.65 nM 421.5 COc1cc2nc(S)n(CCc3ccc(S(N)(=O)=O)cc3)c(=O)c2cc1OC Homo sapiens CHEMBL3830277 single protein format
CHEMBL2337531 OBDepict N HN O OH S O O H 2 N Ki = 0.65 nM 343.36 N#C/C(=Cc1ccc(O)cc1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 Homo sapiens CHEMBL2339498 single protein format
CHEMBL3323209 OBDepict O N H HN NH S O O H 3 C S O O NH 2 Ki = 0.65 nM 384.44 Cc1ccc(S(=O)(=O)NNC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1 Homo sapiens CHEMBL3362530 single protein format
CHEMBL2337543 OBDepict N HN O + N S O _ O O O H 2 N Ki = 0.66 nM 372.36 N#C/C(=Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 Homo sapiens CHEMBL2339498 single protein format
CHEMBL3752328 OBDepict H 3 C O O HN H S N H O O F Ki = 0.66 nM 366.41 COC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)NCc1ccc(F)cc1 Homo sapiens CHEMBL3755045 single protein format
CHEMBL3323212 OBDepict CH 3 O S NH O O N H N H O S O O NH 2 Ki = 0.66 nM 400.44 COc1ccc(S(=O)(=O)NNC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1 Homo sapiens CHEMBL3362530 single protein format
CHEMBL2377782 OBDepict O N O O OH Ki = 0.66 nM 219.2 O=C(O)c1ccc(N2C(=O)CCC2=O)cc1 Homo sapiens CHEMBL3387075 single protein format
CHEMBL3805906 OBDepict Cl O O N CH 3 NH S O O H 2 N Ki = 0.66 nM 391.84 C/C(=NNc1ccc(S(N)(=O)=O)cc1)c1cc2cc(Cl)ccc2oc1=O Homo sapiens CHEMBL3806794 single protein format
CHEMBL3828598 OBDepict Cl N SH N O S O O NH 2 Ki = 0.66 nM 395.89 NS(=O)(=O)c1ccc(CCn2c(S)nc3c(Cl)cccc3c2=O)cc1 Homo sapiens CHEMBL3830277 single protein format
CHEMBL2377785 OBDepict H O N H O O OH Ki = 0.66 nM 271.27 O=C(O)c1ccc(N2C(=O)[C@H]3CC=CC[C@H]3C2=O)cc1 Homo sapiens CHEMBL3387075 single protein format
CHEMBL3354129 OBDepict O HN N H S O O F N S O O H 2 N Ki = 0.67 nM 374.38 NS(=O)(=O)c1ccc(NC(=O)NS(=O)(=O)c2ccc(F)cc2)cn1 Homo sapiens CHEMBL3389585 single protein format
CHEMBL2337133 OBDepict N HN O O O CH 3 CH 3 O S CH 3 O O H 2 N Ki = 0.67 nM 417.44 COc1cc(OC)c(OC)cc1/C=C(C#N)C(=O)Nc1ccc(S(N)(=O)=O)cc1 Homo sapiens CHEMBL2339498 single protein format
CHEMBL3765532 OBDepict CH 3 O O H 3 C N O N HS S O O NH 2 Ki = 0.67 nM 393.45 COc1ccc2c(=O)n(-c3ccc(S(N)(=O)=O)cc3)c(S)nc2c1OC Homo sapiens CHEMBL3767107 single protein format
CHEMBL3589200 OBDepict O N H N H S N O O NH 2 O N H Cl Ki = 0.67 nM 469.91 NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(/N=C3C(=O)Nc4ccc(Cl)cc43)cc2)cc1 Homo sapiens CHEMBL3767222 single protein format
CHEMBL2337540 OBDepict N N H O S O O NH 2 Ki = 0.67 nM 239.26 N#CCC(=O)Nc1ccc(S(N)(=O)=O)cc1 Homo sapiens CHEMBL2339498 single protein format
CHEMBL2377780 OBDepict O N O S O O NH 2 Ki = 0.68 nM 268.29 NS(=O)(=O)c1ccc(CN2C(=O)CCC2=O)cc1 Homo sapiens CHEMBL3387075 single protein format
CHEMBL3323205 OBDepict O N H HN NH S O O S O O NH 2 Ki = 0.68 nM 370.41 NS(=O)(=O)c1ccc(NC(=O)NNS(=O)(=O)c2ccccc2)cc1 Homo sapiens CHEMBL3362530 single protein format
CHEMBL3342494 OBDepict N HN N S O O Br S O O NH 2 Ki = 0.68 nM 557.45 N#Cc1c(-c2ccc(Br)cc2)cn(-c2ccc(S(N)(=O)=O)cc2)c1NS(=O)(=O)c1ccccc1 Homo sapiens CHEMBL3382412 single protein format
CHEMBL2316107 OBDepict Cl O O N N S S O O NH 2 Ki = 0.68 nM 431.88 NS(=O)(=O)c1ccc2c(c1)sc1nc(-c3cc4cc(Cl)ccc4oc3=O)cn12 Homo sapiens CHEMBL3806794 single protein format
CHEMBL2377796 OBDepict O N O Cl Cl Cl Cl S O O NH 2 Ki = 0.69 nM 454.12 NS(=O)(=O)c1ccc(CN2C(=O)c3c(Cl)c(Cl)c(Cl)c(Cl)c3C2=O)cc1 Homo sapiens CHEMBL3387075 single protein format
CHEMBL3763581 OBDepict F N H N O N H O S O O NH 2 Ki = 0.69 nM 438.44 NS(=O)(=O)c1ccc(NC(=O)c2ccc(/N=C3C(=O)Nc4ccc(F)cc43)cc2)cc1 Homo sapiens CHEMBL3767222 single protein format
CHEMBL3342493 OBDepict Br N N NH N H S S O O NH 2 CH 3 Ki = 0.69 nM 566.51 Cc1ccc(-n2c(=S)[nH]c3c(c(-c4ccc(Br)cc4)cn3-c3ccc(S(N)(=O)=O)cc3)c2=N)cc1 Homo sapiens CHEMBL3382412 single protein format
CHEMBL3765409 OBDepict O N H N + N O _ O NH O S O O NH 2 Ki = 0.69 nM 465.45 NS(=O)(=O)c1ccc(NC(=O)c2ccc(/N=C3C(=O)Nc4ccc([N+](=O)[O-])cc43)cc2)cc1 Homo sapiens CHEMBL3767222 single protein format
CHEMBL4846669 OBDepict H 3 C N O N N N O N N S O O NH 2 Ki = 0.69 nM 431.48 Cc1cc(OCc2cn(-c3ccc(S(N)(=O)=O)cc3)nn2)nc(N2CCOCC2)n1 Homo sapiens CHEMBL4809955 single protein format
CHEMBL208532 OBDepict CH 3 N H O S O O NH 2 Ki = 0.69 nM 366.53 CCCCCCCCCC(=O)NC1Cc2ccc(S(N)(=O)=O)cc2C1 Homo sapiens CHEMBL1009246 single protein format
CHEMBL3323213 OBDepict O N H NH HN S O O N H O CH 3 S O O H 2 N Ki = 0.71 nM 427.46 CC(=O)Nc1ccc(S(=O)(=O)NNC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1 Homo sapiens CHEMBL3362530 single protein format
CHEMBL4866641 OBDepict CH 3 N N N N O N N N S O O NH 2 Ki = 0.71 nM 444.52 CCN1CCN(c2nccc(OCc3cn(-c4ccc(S(N)(=O)=O)cc4)nn3)n2)CC1 Homo sapiens CHEMBL4809955 single protein format
CHEMBL3764707 OBDepict O N H N H NH 2 S O O NH 2 Ki = 0.71 nM 306.35 Nc1ccc(NC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1 Homo sapiens CHEMBL3767222 single protein format
CHEMBL3402966 OBDepict _ O + N O O S O O NH 2 Ki = 0.72 nM 308.31 NS(=O)(=O)c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1 Homo sapiens CHEMBL3405435 single protein format
CHEMBL3323206 OBDepict O N H HN NH S O O F S O O NH 2 Ki = 0.72 nM 388.4 NS(=O)(=O)c1ccc(NC(=O)NNS(=O)(=O)c2ccc(F)cc2)cc1 Homo sapiens CHEMBL3362530 single protein format
CHEMBL3298839 OBDepict Br N N N N N N S O O NH 2 Ki = 0.72 nM 570.43 NS(=O)(=O)c1ccc(-n2cc(-c3ccc(Br)cc3)c3c2ncn2nc4c5ccccc5nc-4nc32)cc1 Homo sapiens CHEMBL3300911 single protein format
CHEMBL2337542 OBDepict N HN O Cl Cl S O O H 2 N Ki = 0.72 nM 396.25 N#C/C(=Cc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(S(N)(=O)=O)cc1 Homo sapiens CHEMBL2339498 single protein format
CHEMBL3828605 OBDepict CH 3 CH 3 N O N HS S O O NH 2 Ki = 0.73 nM 389.5 Cc1cc(C)c2nc(S)n(CCc3ccc(S(N)(=O)=O)cc3)c(=O)c2c1 Homo sapiens CHEMBL3830277 single protein format
CHEMBL3752046 OBDepict CH 3 O O HN H CH 3 H 3 C S N H O O F Ki = 0.74 nM 318.37 COC(=O)[C@@H](NS(=O)(=O)NCc1ccc(F)cc1)C(C)C Homo sapiens CHEMBL3755045 single protein format
CHEMBL3298343 OBDepict N H 2 N N Br S O O NH 2 Ki = 0.74 nM 417.29 N#Cc1c(-c2ccc(Br)cc2)cn(-c2ccc(S(N)(=O)=O)cc2)c1N Homo sapiens CHEMBL3300911 single protein format
CHEMBL2402763 OBDepict O N H N S Br N S O O NH 2 Ki = 0.74 nM 377.25 NS(=O)(=O)c1nnc(NC(=O)Cc2ccccc2Br)s1 Homo sapiens CHEMBL2415307 single protein format
CHEMBL3402964 OBDepict F F O F F F S O O NH 2 Ki = 0.75 nM 353.27 NS(=O)(=O)c1ccc(OCc2c(F)c(F)c(F)c(F)c2F)cc1 Homo sapiens CHEMBL3405435 single protein format
CHEMBL4465528 OBDepict O N + S _ O CH 3 H 3 C CH 3 N S O O Ki = 0.76 nM 428.54 CC(C)(C)n1c(=O)cc(-c2cn(S(=O)(=O)c3ccccc3)c3ccccc23)[s+]1[O-] Homo sapiens CHEMBL4395425 single protein format
CHEMBL4874163 OBDepict CH 3 O N O N N N O N N N S O O NH 2 Ki = 0.76 nM 488.53 CCOC(=O)N1CCN(c2nccc(OCc3cn(-c4ccc(S(N)(=O)=O)cc4)nn3)n2)CC1 Homo sapiens CHEMBL4809955 single protein format
CHEMBL3298352 OBDepict O N H N N N N Br S O O NH 2 Ki = 0.76 nM 499.35 NS(=O)(=O)c1ccc(-n2cc(-c3ccc(Br)cc3)c3c2N=CN2NC(=O)CN=C32)cc1 Homo sapiens CHEMBL3300911 single protein format
CHEMBL3400811 OBDepict _ S N S HN O CH 3 CH 3 CH 3 + K Ki = 0.76 nM 298.52 CC(C)(C)C(=O)NC1CCCN(C(=S)[S-])C1.[K+] Homo sapiens CHEMBL3406379 assay format
CHEMBL3828520 OBDepict I N O N SH S O O NH 2 Ki = 0.76 nM 487.34 NS(=O)(=O)c1ccc(CCn2c(S)nc3ccc(I)cc3c2=O)cc1 Homo sapiens CHEMBL3830277 single protein format
CHEMBL2377793 OBDepict O N O Cl Cl S O O NH 2 Ki = 0.77 nM 385.23 NS(=O)(=O)c1ccc(CN2C(=O)c3cc(Cl)c(Cl)cc3C2=O)cc1 Homo sapiens CHEMBL3387075 single protein format
CHEMBL2023728 OBDepict _ S N S N S _ S + Na + Na Ki = 0.78 nM 282.39 S=C([S-])N1CCN(C(=S)[S-])CC1.[Na+].[Na+] Homo sapiens CHEMBL2027663 single protein format