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P00918 | CAH2_HUMAN | Carbonic anhydrase 2 (CA2)

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
CHEMBL4864797 OBDepict H O N H H HO O H HO H OH S O O NH 2 IC50 = 0.0 nM 332.33 NS(=O)(=O)c1ccc(C(=O)N[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)cc1 Homo sapiens CHEMBL4822377 single protein format
CHEMBL3608874 OBDepict O N N O O S O O NH 2 Ki = 0.008 nM 337.36 NS(=O)(=O)c1ccc(-c2cnc(C(=O)N3CCOCC3)o2)cc1 Homo sapiens CHEMBL3610378 single protein format
CHEMBL3608873 OBDepict O N N O S O O NH 2 Ki = 0.009 nM 321.36 NS(=O)(=O)c1ccc(-c2cnc(C(=O)N3CCCC3)o2)cc1 Homo sapiens CHEMBL3610378 single protein format
CHEMBL3608883 OBDepict CH 3 O S O O H 2 N O N N O Ki = 0.01 nM 351.38 COc1ccc(-c2cnc(C(=O)N3CCCC3)o2)cc1S(N)(=O)=O Homo sapiens CHEMBL3610378 single protein format
CHEMBL3608871 OBDepict NH 2 S O O O N Ki = 0.01 nM 264.31 NS(=O)(=O)c1ccc(-c2cnc(C3CC3)o2)cc1 Homo sapiens CHEMBL3610378 single protein format
CHEMBL3608892 OBDepict NH 2 S O O S O N Ki = 0.01 nM 284.36 NS(=O)(=O)c1cc(-c2cnc(C3CCC3)o2)cs1 Homo sapiens CHEMBL3610378 single protein format
CHEMBL3608890 OBDepict CH 3 N O S S O O NH 2 Ki = 0.01 nM 244.3 Cc1ncc(-c2csc(S(N)(=O)=O)c2)o1 Homo sapiens CHEMBL3610378 single protein format
CHEMBL3608888 OBDepict O N N O S S O O NH 2 Ki = 0.01 nM 327.39 NS(=O)(=O)c1ccc(-c2cnc(C(=O)N3CCCC3)o2)s1 Homo sapiens CHEMBL3610378 single protein format
CHEMBL3608887 OBDepict NH 2 S O O S O N Ki = 0.01 nM 284.36 NS(=O)(=O)c1ccc(-c2cnc(C3CCC3)o2)s1 Homo sapiens CHEMBL3610378 single protein format
CHEMBL3608881 OBDepict O N N O S H 3 C O O H 2 N Ki = 0.01 nM 335.39 Cc1ccc(-c2cnc(C(=O)N3CCCC3)o2)cc1S(N)(=O)=O Homo sapiens CHEMBL3610378 single protein format
CHEMBL3608893 OBDepict O N N O S S O O NH 2 Ki = 0.02 nM 327.39 NS(=O)(=O)c1cc(-c2cnc(C(=O)N3CCCC3)o2)cs1 Homo sapiens CHEMBL3610378 single protein format
CHEMBL3608889 OBDepict O N N O O S S O O NH 2 Ki = 0.02 nM 343.39 NS(=O)(=O)c1ccc(-c2cnc(C(=O)N3CCOCC3)o2)s1 Homo sapiens CHEMBL3610378 single protein format
CHEMBL3608872 OBDepict NH 2 S O O O N Ki = 0.02 nM 278.33 NS(=O)(=O)c1ccc(-c2cnc(C3CCC3)o2)cc1 Homo sapiens CHEMBL3610378 single protein format
CHEMBL4527427 OBDepict CH 3 N N O S O O NH 2 Ki = 0.03 nM 315.35 Cc1nn(-c2ccc(S(N)(=O)=O)cc2)c(=O)c2ccccc12 Homo sapiens CHEMBL4391787 single protein format
CHEMBL3608894 OBDepict O N N O O S S O O NH 2 Ki = 0.03 nM 343.39 NS(=O)(=O)c1cc(-c2cnc(C(=O)N3CCOCC3)o2)cs1 Homo sapiens CHEMBL3610378 single protein format
CHEMBL4579554 OBDepict HO N N H O Br OH S O O NH 2 Ki = 0.04 nM 456.32 NS(=O)(=O)c1ccc(CCNC(=O)/C(Cc2ccc(O)c(Br)c2)=N/O)cc1 Homo sapiens CHEMBL4334864 assay format
CHEMBL3585778 OBDepict CH 3 O O HN CH 3 CH 3 S N H O O O O Ki = 0.0488 nM 394.45 COc1ccc(OC)c(C(C)NS(=O)(=O)NC(=O)OCc2ccccc2)c1 Homo sapiens CHEMBL3588577 cell-based format
CHEMBL3608870 OBDepict CH 3 N O S O O NH 2 Ki = 0.05 nM 238.27 Cc1ncc(-c2ccc(S(N)(=O)=O)cc2)o1 Homo sapiens CHEMBL3610378 single protein format
CHEMBL3608884 OBDepict CH 3 O S O O H 2 N O N N O O Ki = 0.05 nM 367.38 COc1ccc(-c2cnc(C(=O)N3CCOCC3)o2)cc1S(N)(=O)=O Homo sapiens CHEMBL3610378 single protein format
CHEMBL4449193 OBDepict HO N N H O OH S O O NH 2 Ki = 0.05 nM 377.42 NS(=O)(=O)c1ccc(CCNC(=O)/C(Cc2ccc(O)cc2)=N/O)cc1 Homo sapiens CHEMBL4334864 assay format
CHEMBL4569531 OBDepict Cl N O N N S O O NH 2 Ki = 0.06 nM 382.87 NS(=O)(=O)c1ccc(-n2ncc(N3CCCCCC3)c(Cl)c2=O)cc1 Homo sapiens CHEMBL4391787 single protein format
CHEMBL3585775 OBDepict CH 3 O HN CH 3 S N H O O O O Ki = 0.0603 nM 364.42 COc1ccccc1C(C)NS(=O)(=O)NC(=O)OCc1ccccc1 Homo sapiens CHEMBL3588577 cell-based format
CHEMBL3601892 OBDepict NH 2 S O O N S N S Ki = 0.07 nM 419.6 NS(=O)(=O)c1ccc(/N=c2scc(-c3cccs3)n2C2CCCCC2)cc1 Homo sapiens CHEMBL3602573 single protein format
CHEMBL4542010 OBDepict Cl N O N N O S O O NH 2 Ki = 0.07 nM 370.82 NS(=O)(=O)c1ccc(-n2ncc(N3CCOCC3)c(Cl)c2=O)cc1 Homo sapiens CHEMBL4391787 single protein format
CHEMBL4519564 OBDepict H 3 C O N N O S O O NH 2 Ki = 0.08 nM 359.41 COc1ccc(C2=NN(c3ccc(S(N)(=O)=O)cc3)C(=O)CC2)cc1 Homo sapiens CHEMBL4391787 single protein format
CHEMBL4566532 OBDepict O N N N S O O NH 2 Ki = 0.08 nM 348.43 NS(=O)(=O)c1ccc(-n2ncc(N3CCCCCC3)cc2=O)cc1 Homo sapiens CHEMBL4391787 single protein format
CHEMBL4434814 OBDepict O N H N O N S N O S O O NH 2 Ki = 0.08 nM 425.49 NS(=O)(=O)c1nnc(NC(=O)/C(Cc2ccccc2)=N/OC2CCCCO2)s1 Homo sapiens CHEMBL4334864 assay format
CHEMBL3585777 OBDepict CH 3 O O CH 3 N H H 3 C S HN O O O O Ki = 0.0888 nM 394.45 COc1ccc(C(C)NS(=O)(=O)NC(=O)OCc2ccccc2)cc1OC Homo sapiens CHEMBL3588577 cell-based format
CHEMBL4563416 OBDepict Cl N H O N N S O O NH 2 Ki = 0.09 nM 390.85 NS(=O)(=O)c1ccc(-n2ncc(NCc3ccccc3)c(Cl)c2=O)cc1 Homo sapiens CHEMBL4391787 single protein format
CHEMBL3585779 OBDepict H 3 C O O N H CH 3 CH 3 S HN O O O O Ki = 0.1051 nM 394.45 COc1cccc(OC)c1C(C)NS(=O)(=O)NC(=O)OCc1ccccc1 Homo sapiens CHEMBL3588577 cell-based format
CHEMBL3585784 OBDepict CH 3 O N H H 3 C O S CH 3 O O NH 2 Ki = 0.1368 nM 260.31 COc1cccc(OC)c1C(C)NS(N)(=O)=O Homo sapiens CHEMBL3588577 cell-based format
CHEMBL273599 OBDepict CH 3 H S O O H NH S H 3 C S O O NH 2 Ki = 0.14 nM 352.5 CCC[C@H]1C[C@H](NCC)c2cc(S(N)(=O)=O)sc2S1(=O)=O Homo sapiens CHEMBL658729 single protein format
CHEMBL4105008 OBDepict O N H S N N S N O NH Cl IC50 = 0.15 nM 469.98 O=C(CSc1nnc(Nc2ccccc2)s1)N/N=C/c1ccc(-c2ccccc2Cl)o1 Homo sapiens CHEMBL4035707 cell membrane format
CHEMBL3585776 OBDepict CH 3 O N H H 3 C S NH O O O O Ki = 0.1561 nM 364.42 COc1ccc(C(C)NS(=O)(=O)NC(=O)OCc2ccccc2)cc1 Homo sapiens CHEMBL3588577 cell-based format
CHEMBL3601459 OBDepict H 3 C N O N CH 3 N Cl N S O O NH 2 Ki = 0.17 nM 457.94 CC(=O)N1N=C(c2ccccc2)CC1c1c(C)nn(-c2ccc(S(N)(=O)=O)cc2)c1Cl Homo sapiens CHEMBL3602837 single protein format
CHEMBL415964 OBDepict CH 3 H S O O H NH S H 3 C S O O NH 2 Ki = 0.17 nM 352.5 CCC[C@@H]1C[C@H](NCC)c2cc(S(N)(=O)=O)sc2S1(=O)=O Homo sapiens CHEMBL658729 single protein format
CHEMBL218490 OBDepict CH 3 N H H H CH 3 S S O O S O O NH 2 IC50 = 0.18 nM 324.45 CCN[C@H]1C[C@H](C)S(=O)(=O)c2sc(S(N)(=O)=O)cc21 Homo sapiens CHEMBL657920 single protein format
CHEMBL4164295 OBDepict H CH 2 H 3 C Se CH 3 OH S O O NH 2 Ki = 0.18 nM 388.39 C=C(C)[C@@H]1CCC(C)(O)C([Se]c2ccc(S(N)(=O)=O)cc2)C1 Homo sapiens CHEMBL4136600 single protein format
CHEMBL4100496 OBDepict O N H S N N S N O NH Cl IC50 = 0.19 nM 469.98 O=C(CSc1nnc(Nc2ccccc2)s1)N/N=C/c1ccc(-c2ccc(Cl)cc2)o1 Homo sapiens CHEMBL4035707 cell membrane format
CHEMBL3585780 OBDepict CH 3 O N H H 3 C S O O NH 2 Ki = 0.1927 nM 230.29 COc1ccccc1C(C)NS(N)(=O)=O Homo sapiens CHEMBL3588577 cell-based format
CHEMBL3408993 OBDepict O S HN O N S N + N S O O NH 2 _ O 3+ Cl _ O _ O _ O Ki = 0.2 nM 497.92 NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccc(-[n+]3ccccc3)cc2)s1.[O-][Cl+3]([O-])([O-])[O-] Homo sapiens CHEMBL3414019 single protein format
CHEMBL304757 OBDepict F H 2 N S Br HN O O N S N S O O NH 2 Ki = 0.2 nM 432.28 Nc1c(F)cc(S(=O)(=O)Nc2nnc(S(N)(=O)=O)s2)cc1Br Homo sapiens CHEMBL657145 single protein format
CHEMBL140110 OBDepict F F S F F HN O O S N S O O NH 2 F Ki = 0.2 nM 459.4 NS(=O)(=O)c1nc2ccc(NS(=O)(=O)c3c(F)c(F)c(F)c(F)c3F)cc2s1 Homo sapiens CHEMBL657194 single protein format
CHEMBL4073364 OBDepict F N O HO HO S O O NH 2 Ki = 0.21 nM 442.47 NS(=O)(=O)c1ccc(C(=O)N2CCc3cc(O)c(O)cc3C2c2ccc(F)cc2)cc1 Homo sapiens CHEMBL4015664 single protein format
CHEMBL4592596 OBDepict O N N S O O NH 2 Ki = 0.23 nM 301.33 NS(=O)(=O)c1ccc(-n2ncc3ccccc3c2=O)cc1 Homo sapiens CHEMBL4391787 single protein format
CHEMBL4545711 OBDepict O N H NH N S N S O O NH 2 Cl F F F Ki = 0.24 nM 401.78 NS(=O)(=O)c1nnc(NC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)s1 Homo sapiens CHEMBL4368291 single protein format
CHEMBL3765745 OBDepict HS N N O CH 3 S O O NH 2 Ki = 0.25 nM 347.42 Cc1ccc2nc(S)n(-c3ccc(S(N)(=O)=O)cc3)c(=O)c2c1 Homo sapiens CHEMBL3767105 single protein format
CHEMBL3601463 OBDepict Cl N N O CH 3 CH 3 N Cl N S O O NH 2 Ki = 0.26 nM 492.39 CC(=O)N1N=C(c2ccc(Cl)cc2)CC1c1c(C)nn(-c2ccc(S(N)(=O)=O)cc2)c1Cl Homo sapiens CHEMBL3602837 single protein format
CHEMBL264618 OBDepict _ O 3+ Cl _ O _ O _ O CH 3 + N H 3 C CH 3 S HN O O N S N S O O NH 2 Ki = 0.26 nM 540.0 Cc1cc(C)[n+](-c2ccc(S(=O)(=O)Nc3nnc(S(N)(=O)=O)s3)cc2)c(C)c1.[O-][Cl+3]([O-])([O-])[O-] Homo sapiens CHEMBL658041 single protein format
CHEMBL4466844 OBDepict O N N S O O NH 2 Ki = 0.26 nM 329.38 NS(=O)(=O)c1ccc(N2N=C(c3ccccc3)CCC2=O)cc1 Homo sapiens CHEMBL4391787 single protein format
CHEMBL4100496 OBDepict O N H S N N S N O NH Cl Ki = 0.27 nM 469.98 O=C(CSc1nnc(Nc2ccccc2)s1)N/N=C/c1ccc(-c2ccc(Cl)cc2)o1 Homo sapiens CHEMBL4035710 cell membrane format
CHEMBL3608882 OBDepict O N N O O S H 3 C O O H 2 N Ki = 0.28 nM 351.38 Cc1ccc(-c2cnc(C(=O)N3CCOCC3)o2)cc1S(N)(=O)=O Homo sapiens CHEMBL3610378 single protein format
CHEMBL4099267 OBDepict Br N O HO HO S O O NH 2 Ki = 0.28 nM 503.37 NS(=O)(=O)c1ccc(C(=O)N2CCc3cc(O)c(O)cc3C2c2ccc(Br)cc2)cc1 Homo sapiens CHEMBL4015664 single protein format
CHEMBL4081323 OBDepict O HN S N H S N O O O IC50 = 0.287 nM 369.47 O=C(CSC(=S)NN1CCOCC1)NCc1ccc2c(c1)OCO2 Homo sapiens CHEMBL4041637 single protein format
CHEMBL4081248 OBDepict Cl N O HO HO S O O NH 2 Ki = 0.29 nM 458.92 NS(=O)(=O)c1ccc(C(=O)N2CCc3cc(O)c(O)cc3C2c2ccc(Cl)cc2)cc1 Homo sapiens CHEMBL4015664 single protein format
CHEMBL4567068 OBDepict CH 3 N N N Cl N O S O O NH 2 Ki = 0.29 nM 397.89 CCN1CCN(c2cnn(-c3ccc(S(N)(=O)=O)cc3)c(=O)c2Cl)CC1 Homo sapiens CHEMBL4391787 single protein format
CHEMBL9688 OBDepict CH 3 N H H H S S CH 3 O O S O O NH 2 Ki = 0.3 nM 338.48 CCN[C@H]1C[C@H](CC)S(=O)(=O)c2sc(S(N)(=O)=O)cc21 Homo sapiens CHEMBL658729 single protein format
CHEMBL308677 OBDepict F H 2 N S I HN O O N S N S O O NH 2 Ki = 0.3 nM 479.28 Nc1c(F)cc(S(=O)(=O)Nc2nnc(S(N)(=O)=O)s2)cc1I Homo sapiens CHEMBL657145 single protein format
CHEMBL71611 OBDepict F H 2 N S Cl HN O O N S N S O O NH 2 Ki = 0.3 nM 387.83 Nc1c(F)cc(S(=O)(=O)Nc2nnc(S(N)(=O)=O)s2)cc1Cl Homo sapiens CHEMBL657145 single protein format
CHEMBL3601464 OBDepict Br N N O CH 3 CH 3 N Cl N S O O NH 2 Ki = 0.3 nM 536.84 CC(=O)N1N=C(c2ccc(Br)cc2)CC1c1c(C)nn(-c2ccc(S(N)(=O)=O)cc2)c1Cl Homo sapiens CHEMBL3602837 single protein format
CHEMBL142132 OBDepict F F S F F O O O S N S O O NH 2 F Ki = 0.3 nM 460.38 NS(=O)(=O)c1nc2ccc(OS(=O)(=O)c3c(F)c(F)c(F)c(F)c3F)cc2s1 Homo sapiens CHEMBL657194 single protein format
CHEMBL94836 OBDepict F F S F F HN O O N S N S O O NH 2 F Ki = 0.3 nM 410.33 NS(=O)(=O)c1nnc(NS(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)s1 Homo sapiens CHEMBL657194 single protein format
CHEMBL3582347 OBDepict O N H N H CH 3 H 3 C S O O NH 2 Ki = 0.3 nM 333.41 CC(C)c1cccc(NC(=O)Nc2ccc(S(N)(=O)=O)cc2)c1 Homo sapiens CHEMBL3584204 single protein format
CHEMBL4559832 OBDepict NH 2 S O O N N O N Ki = 0.3 nM 302.31 NS(=O)(=O)c1ccc(-c2noc(-c3ccncc3)n2)cc1 Homo sapiens CHEMBL4423248 single protein format
CHEMBL76206 OBDepict _ O 3+ Cl _ O _ O _ O CH 3 + N H 3 C CH 3 H 3 C S HN O O N S N S O O NH 2 Ki = 0.3 nM 554.03 Cc1cc(C)[n+](-c2ccc(S(=O)(=O)Nc3nnc(S(N)(=O)=O)s3)cc2)c(C)c1C.[O-][Cl+3]([O-])([O-])[O-] Homo sapiens CHEMBL658041 single protein format
CHEMBL18 OBDepict CH 3 O S N S O O NH 2 IC50 = 0.3 nM 258.32 CCOc1ccc2nc(S(N)(=O)=O)sc2c1 Homo sapiens CHEMBL2394010 cell-based format
CHEMBL138253 OBDepict F F S F F N O O S N CH 3 N S O O NH 2 F Ki = 0.3 nM 424.35 Cn1nc(S(N)(=O)=O)sc1=NS(=O)(=O)c1c(F)c(F)c(F)c(F)c1F Homo sapiens CHEMBL657194 single protein format
CHEMBL3763168 OBDepict SH N N O Cl S O O NH 2 Ki = 0.31 nM 367.84 NS(=O)(=O)c1ccc(-n2c(S)nc3c(Cl)cccc3c2=O)cc1 Homo sapiens CHEMBL3767105 single protein format
CHEMBL4866381 OBDepict NH 2 S O O N N N O N N N Ki = 0.31 nM 415.48 NS(=O)(=O)c1ccc(-n2cc(COc3ccnc(N4CCCCC4)n3)nn2)cc1 Homo sapiens CHEMBL4809953 single protein format
CHEMBL4858154 OBDepict CH 3 N N N N O H 3 C N N N S O O NH 2 Ki = 0.32 nM 458.55 CCN1CCN(c2nc(C)cc(OCc3cn(-c4ccc(S(N)(=O)=O)cc4)nn3)n2)CC1 Homo sapiens CHEMBL4809953 single protein format
CHEMBL4099344 OBDepict O HN S N H S N O O S IC50 = 0.338 nM 385.54 O=C(CSC(=S)NN1CCSCC1)NCc1ccc2c(c1)OCO2 Homo sapiens CHEMBL4041637 single protein format
CHEMBL4073678 OBDepict O N H S N N S N O NH + N O _ O IC50 = 0.34 nM 480.53 O=C(CSc1nnc(Nc2ccccc2)s1)N/N=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1 Homo sapiens CHEMBL4035707 cell membrane format
CHEMBL4443809 OBDepict HO N N H O Br OH S O O NH 2 Ki = 0.35 nM 428.26 NS(=O)(=O)c1ccc(NC(=O)/C(Cc2ccc(O)c(Br)c2)=N/O)cc1 Homo sapiens CHEMBL4334864 assay format
CHEMBL3763877 OBDepict H 3 C O O CH 3 O O N N H 3 C HS S O O NH 2 Ki = 0.35 nM 423.47 COc1cc2c(=O)n(-c3ccc(S(N)(=O)=O)cc3)c(S)nc2c(OC)c1OC Homo sapiens CHEMBL3767105 single protein format
CHEMBL4558452 OBDepict O N H O CH 3 Cl S O O NH 2 Ki = 0.36 nM 378.84 CC(=O)/C(=Cc1ccccc1Cl)C(=O)Nc1ccc(S(N)(=O)=O)cc1 Homo sapiens CHEMBL4404278 single protein format
CHEMBL4440046 OBDepict H 2 N S O O N N O S Ki = 0.38 nM 307.36 NS(=O)(=O)c1cccc(-c2noc(-c3ccsc3)n2)c1 Homo sapiens CHEMBL4423248 single protein format
CHEMBL3585783 OBDepict CH 3 O N H H 3 C O S CH 3 O O NH 2 Ki = 0.3838 nM 260.31 COc1ccc(OC)c(C(C)NS(N)(=O)=O)c1 Homo sapiens CHEMBL3588577 cell-based format
CHEMBL75595 OBDepict _ O 3+ Cl _ O _ O _ O H 3 C CH 3 + N H 3 C CH 3 S HN O O N S N S O O NH 2 Ki = 0.39 nM 568.06 Cc1cc(C)[n+](-c2ccc(S(=O)(=O)Nc3nnc(S(N)(=O)=O)s3)cc2)c(C(C)C)c1.[O-][Cl+3]([O-])([O-])[O-] Homo sapiens CHEMBL658041 single protein format
CHEMBL4551727 OBDepict NH 2 S O O N N O S Ki = 0.39 nM 307.36 NS(=O)(=O)c1ccc(-c2noc(-c3cccs3)n2)cc1 Homo sapiens CHEMBL4423248 single protein format
CHEMBL68253 OBDepict NH 2 S O O HO Ki = 0.39 nM 97.09 NS(=O)(=O)O Homo sapiens CHEMBL1645695 single protein format
CHEMBL4097972 OBDepict O N H S N N S N O NH Cl Cl IC50 = 0.39 nM 504.42 O=C(CSc1nnc(Nc2ccccc2)s1)N/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1 Homo sapiens CHEMBL4035707 cell membrane format
CHEMBL4084006 OBDepict NH 2 S O O N S N N N N S N S O O NH 2 Ki = 0.4 nM 458.53 NS(=O)(=O)c1nnc(/N=C/c2cccc(/C=N/c3nnc(S(N)(=O)=O)s3)c2)s1 Homo sapiens CHEMBL4034206 single protein format
CHEMBL138920 OBDepict O N H N S N H N S S O O F F F F F O O H 2 N Ki = 0.4 nM 481.41 NS(=O)(=O)c1nnc(NC(=O)CCNS(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)s1 Homo sapiens CHEMBL657194 single protein format
CHEMBL4533252 OBDepict CH 3 O N N O H 3 C O S O O NH 2 IC50 = 0.4 nM 389.43 COc1ccc(C2=NN(C(C)=O)C(c3ccc(OS(N)(=O)=O)cc3)C2)cc1 Homo sapiens CHEMBL4602752 single protein format
CHEMBL4075535 OBDepict O N H S N N S N O NH Br IC50 = 0.41 nM 514.43 O=C(CSc1nnc(Nc2ccccc2)s1)N/N=C/c1ccc(-c2ccc(Br)cc2)o1 Homo sapiens CHEMBL4035707 cell membrane format
CHEMBL3808876 OBDepict NH 2 S O O N H S N N H S O O H 2 N Ki = 0.41 nM 425.52 NS(=O)(=O)c1ccc(Nc2csc(Nc3ccc(S(N)(=O)=O)cc3)n2)cc1 Homo sapiens CHEMBL3811428 single protein format
CHEMBL4649709 OBDepict F N O N O S O O NH 2 Ki = 0.41 nM 391.42 NS(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)c3cccc(F)c3)CC2)cc1 Homo sapiens CHEMBL4606701 single protein format
CHEMBL4441149 OBDepict NH 2 S O O O N N N Ki = 0.42 nM 302.31 NS(=O)(=O)c1ccc(-c2nc(-c3ccncc3)no2)cc1 Homo sapiens CHEMBL4423248 single protein format
CHEMBL4533252 OBDepict CH 3 O N N O H 3 C O S O O NH 2 Ki = 0.42 nM 389.43 COc1ccc(C2=NN(C(C)=O)C(c3ccc(OS(N)(=O)=O)cc3)C2)cc1 Homo sapiens CHEMBL4363548 single protein format
CHEMBL4535036 OBDepict HO Te O S O O NH 2 Ki = 0.42 nM 434.97 NS(=O)(=O)c1ccc(OCC(O)C[Te]c2ccccc2)cc1 Homo sapiens CHEMBL4362412 single protein format
CHEMBL4849138 OBDepict NH 2 S O O N N N O N N N O Ki = 0.43 nM 417.45 NS(=O)(=O)c1ccc(-n2cc(COc3ccnc(N4CCOCC4)n3)nn2)cc1 Homo sapiens CHEMBL4809953 single protein format
CHEMBL4454736 OBDepict N O N N S O O NH 2 Ki = 0.44 nM 326.34 N#Cc1ccc(-c2nc(-c3ccc(S(N)(=O)=O)cc3)no2)cc1 Homo sapiens CHEMBL4423248 single protein format
CHEMBL4869520 OBDepict H 3 C N H NH O S O O NH 2 Ki = 0.44 nM 347.44 CCc1ccc(NCC(=O)NCc2ccc(S(N)(=O)=O)cc2)cc1 Homo sapiens CHEMBL4825837 single protein format
CHEMBL4435346 OBDepict CH N HC O S O O NH 2 Ki = 0.44 nM 320.41 C#CCN(CC#C)CCCCOc1ccc(S(N)(=O)=O)cc1 Homo sapiens CHEMBL4361649 single protein format
CHEMBL555543 OBDepict NH 2 S O O S S N S ClH Ki = 0.44 nM 370.97 Cl.NS(=O)(=O)c1cc2cc(CN3CCSCC3)sc2s1 Homo sapiens CHEMBL658941 single protein format
CHEMBL333281 OBDepict NH 2 S O O S S N S Ki = 0.44 nM 320.49 NS(=O)(=O)c1cc2cc(N3CCSCC3)sc2s1 Homo sapiens CHEMBL659851 single protein format
CHEMBL4450169 OBDepict CH 3 O N H O O CH 3 S O O NH 2 Ki = 0.45 nM 374.42 COc1ccc(/C=C(C(C)=O)C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1 Homo sapiens CHEMBL4404278 single protein format
CHEMBL4538681 OBDepict HO N N H O OH S O O NH 2 Ki = 0.45 nM 349.37 NS(=O)(=O)c1ccc(NC(=O)/C(Cc2ccc(O)cc2)=N/O)cc1 Homo sapiens CHEMBL4334864 assay format
CHEMBL3585782 OBDepict CH 3 O O CH 3 N H H 3 C S O O NH 2 Ki = 0.4539 nM 260.31 COc1ccc(C(C)NS(N)(=O)=O)cc1OC Homo sapiens CHEMBL3588577 cell-based format
CHEMBL4633178 OBDepict F O N O S O O NH 2 IC50 = 0.46 nM 374.39 NS(=O)(=O)c1ccc(N2C(=O)CC/C2=CC(=O)c2cccc(F)c2)cc1 Homo sapiens CHEMBL4602752 single protein format