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P00915 | CAH1_HUMAN | Carbonic anhydrase 1 (CA1)

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
CHEMBL3608874 OBDepict O N N O O S O O NH 2 Ki = 0.01 nM 337.36 NS(=O)(=O)c1ccc(-c2cnc(C(=O)N3CCOCC3)o2)cc1 Homo sapiens CHEMBL3610377 single protein format
CHEMBL3608873 OBDepict O N N O S O O NH 2 Ki = 0.01 nM 321.36 NS(=O)(=O)c1ccc(-c2cnc(C(=O)N3CCCC3)o2)cc1 Homo sapiens CHEMBL3610377 single protein format
CHEMBL68253 OBDepict NH 2 S O O HO Ki = 0.021 nM 97.09 NS(=O)(=O)O Homo sapiens CHEMBL1645694 single protein format
CHEMBL3585779 OBDepict H 3 C O O N H CH 3 CH 3 S HN O O O O Ki = 0.0459 nM 394.45 COc1cccc(OC)c1C(C)NS(=O)(=O)NC(=O)OCc1ccccc1 Homo sapiens CHEMBL3588576 cell-based format
CHEMBL3585777 OBDepict CH 3 O O CH 3 N H H 3 C S HN O O O O Ki = 0.0483 nM 394.45 COc1ccc(C(C)NS(=O)(=O)NC(=O)OCc2ccccc2)cc1OC Homo sapiens CHEMBL3588576 cell-based format
CHEMBL3608890 OBDepict CH 3 N O S S O O NH 2 Ki = 0.05 nM 244.3 Cc1ncc(-c2csc(S(N)(=O)=O)c2)o1 Homo sapiens CHEMBL3610377 single protein format
CHEMBL3608894 OBDepict O N N O O S S O O NH 2 Ki = 0.09 nM 343.39 NS(=O)(=O)c1cc(-c2cnc(C(=O)N3CCOCC3)o2)cs1 Homo sapiens CHEMBL3610377 single protein format
CHEMBL4100496 OBDepict O N H S N N S N O NH Cl Ki = 0.12 nM 469.98 O=C(CSc1nnc(Nc2ccccc2)s1)N/N=C/c1ccc(-c2ccc(Cl)cc2)o1 Homo sapiens CHEMBL4035708 cell membrane format
CHEMBL4073678 OBDepict O N H S N N S N O NH + N O _ O Ki = 0.12 nM 480.53 O=C(CSc1nnc(Nc2ccccc2)s1)N/N=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1 Homo sapiens CHEMBL4035709 cell membrane format
CHEMBL3585775 OBDepict CH 3 O HN CH 3 S N H O O O O Ki = 0.127 nM 364.42 COc1ccccc1C(C)NS(=O)(=O)NC(=O)OCc1ccccc1 Homo sapiens CHEMBL3588576 cell-based format
CHEMBL3585776 OBDepict CH 3 O N H H 3 C S NH O O O O Ki = 0.1271 nM 364.42 COc1ccc(C(C)NS(=O)(=O)NC(=O)OCc2ccccc2)cc1 Homo sapiens CHEMBL3588576 cell-based format
CHEMBL3585778 OBDepict CH 3 O O HN CH 3 CH 3 S N H O O O O Ki = 0.1397 nM 394.45 COc1ccc(OC)c(C(C)NS(=O)(=O)NC(=O)OCc2ccccc2)c1 Homo sapiens CHEMBL3588576 cell-based format
CHEMBL4100496 OBDepict O N H S N N S N O NH Cl IC50 = 0.14 nM 469.98 O=C(CSc1nnc(Nc2ccccc2)s1)N/N=C/c1ccc(-c2ccc(Cl)cc2)o1 Homo sapiens CHEMBL4035706 cell membrane format
CHEMBL4073678 OBDepict O N H S N N S N O NH + N O _ O IC50 = 0.21 nM 480.53 O=C(CSc1nnc(Nc2ccccc2)s1)N/N=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1 Homo sapiens CHEMBL4035706 cell membrane format
CHEMBL3585780 OBDepict CH 3 O N H H 3 C S O O NH 2 Ki = 0.2747 nM 230.29 COc1ccccc1C(C)NS(N)(=O)=O Homo sapiens CHEMBL3588576 cell-based format
CHEMBL4098116 OBDepict O N H S N N S N O NH + N O _ O Cl IC50 = 0.28 nM 514.98 O=C(CSc1nnc(Nc2ccccc2)s1)N/N=C/c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 Homo sapiens CHEMBL4035706 cell membrane format
CHEMBL4099344 OBDepict O HN S N H S N O O S IC50 = 0.288 nM 385.54 O=C(CSC(=S)NN1CCSCC1)NCc1ccc2c(c1)OCO2 Homo sapiens CHEMBL4041636 single protein format
CHEMBL4097972 OBDepict O N H S N N S N O NH Cl Cl IC50 = 0.29 nM 504.42 O=C(CSc1nnc(Nc2ccccc2)s1)N/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1 Homo sapiens CHEMBL4035706 cell membrane format
CHEMBL4082551 OBDepict O N H S N N S N O NH + N O _ O IC50 = 0.29 nM 480.53 O=C(CSc1nnc(Nc2ccccc2)s1)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 Homo sapiens CHEMBL4035706 cell membrane format
CHEMBL355001 OBDepict NH 2 S O O NH 2 Ki = 0.31 nM 96.11 NS(N)(=O)=O Homo sapiens CHEMBL1645694 single protein format
CHEMBL4081323 OBDepict O HN S N H S N O O O IC50 = 0.346 nM 369.47 O=C(CSC(=S)NN1CCOCC1)NCc1ccc2c(c1)OCO2 Homo sapiens CHEMBL4041636 single protein format
CHEMBL4097972 OBDepict O N H S N N S N O NH Cl Cl Ki = 0.37 nM 504.42 O=C(CSc1nnc(Nc2ccccc2)s1)N/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1 Homo sapiens CHEMBL4035708 cell membrane format
CHEMBL4076887 OBDepict O N H S N N S N O NH Cl Cl IC50 = 0.45 nM 504.42 O=C(CSc1nnc(Nc2ccccc2)s1)N/N=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1 Homo sapiens CHEMBL4035706 cell membrane format
CHEMBL3585781 OBDepict CH 3 O N H H 3 C S O O NH 2 Ki = 0.4794 nM 230.29 COc1ccc(C(C)NS(N)(=O)=O)cc1 Homo sapiens CHEMBL3588576 cell-based format
CHEMBL4060713 OBDepict O HN S N H S N O O N IC50 = 0.518 nM 444.58 O=C(CSC(=S)NN1CCN(c2ccccc2)CC1)NCc1ccc2c(c1)OCO2 Homo sapiens CHEMBL4041636 single protein format
CHEMBL4062231 OBDepict CH 3 N N N H S S NH O O O IC50 = 0.535 nM 382.51 CN1CCN(NC(=S)SCC(=O)NCc2ccc3c(c2)OCO3)CC1 Homo sapiens CHEMBL4041636 single protein format
CHEMBL4091363 OBDepict CH 3 O O Br CH 3 Br H H O HO Ki = 0.54 nM 394.06 COc1cc(Br)c(C[C@H]2C[C@H]2C(=O)O)c(Br)c1OC Homo sapiens CHEMBL4000257 single protein format
CHEMBL4089189 OBDepict O HN S N H S N O O IC50 = 0.556 nM 367.5 O=C(CSC(=S)NN1CCCCC1)NCc1ccc2c(c1)OCO2 Homo sapiens CHEMBL4041636 single protein format
CHEMBL4072122 OBDepict O N H S N N S N O NH + N O _ O IC50 = 0.56 nM 480.53 O=C(CSc1nnc(Nc2ccccc2)s1)N/N=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1 Homo sapiens CHEMBL4035706 cell membrane format
CHEMBL3585783 OBDepict CH 3 O N H H 3 C O S CH 3 O O NH 2 Ki = 0.5645 nM 260.31 COc1ccc(OC)c(C(C)NS(N)(=O)=O)c1 Homo sapiens CHEMBL3588576 cell-based format
CHEMBL4064130 OBDepict O N H S N N S N O HN Cl IC50 = 0.57 nM 469.98 O=C(CSc1nnc(Nc2ccccc2)s1)N/N=C/c1ccc(-c2cccc(Cl)c2)o1 Homo sapiens CHEMBL4035706 cell membrane format
CHEMBL362499 OBDepict H 3 C N CH 3 N N H SH S HN O O N S N S O O NH 2 Ki = 0.6 nM 465.61 CN(C)CC/N=C(S)Nc1ccc(S(=O)(=O)Nc2nnc(S(N)(=O)=O)s2)cc1 Homo sapiens CHEMBL828770 single protein format
CHEMBL185170 OBDepict SH N N H OH HO S HN O O N S N S O O NH 2 + N O _ O Ki = 0.6 nM 575.63 NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccc(N/C(S)=N/C(O)C(O)c3ccc([N+](=O)[O-])cc3)cc2)s1 Homo sapiens CHEMBL828770 single protein format
CHEMBL363931 OBDepict H 3 C N N N N H SH S HN O O N S N S O O NH 2 Ki = 0.6 nM 492.63 CN1CCN(/N=C(S)Nc2ccc(S(=O)(=O)Nc3nnc(S(N)(=O)=O)s3)cc2)CC1 Homo sapiens CHEMBL828770 single protein format
CHEMBL4082586 OBDepict CH 3 O N N N H S S NH O O O IC50 = 0.624 nM 474.61 COc1ccc(N2CCN(NC(=S)SCC(=O)NCc3ccc4c(c3)OCO4)CC2)cc1 Homo sapiens CHEMBL4041636 single protein format
CHEMBL4082551 OBDepict O N H S N N S N O NH + N O _ O Ki = 0.63 nM 480.53 O=C(CSc1nnc(Nc2ccccc2)s1)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 Homo sapiens CHEMBL4035709 cell membrane format
CHEMBL4545711 OBDepict O N H NH N S N S O O NH 2 Cl F F F Ki = 0.63 nM 401.78 NS(=O)(=O)c1nnc(NC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)s1 Homo sapiens CHEMBL4368290 single protein format
CHEMBL3585782 OBDepict CH 3 O O CH 3 N H H 3 C S O O NH 2 Ki = 0.6571 nM 260.31 COc1ccc(C(C)NS(N)(=O)=O)cc1OC Homo sapiens CHEMBL3588576 cell-based format
CHEMBL4072105 OBDepict CH 3 N N N H S S HN O O O IC50 = 0.677 nM 396.54 CCN1CCN(NC(=S)SCC(=O)NCc2ccc3c(c2)OCO3)CC1 Homo sapiens CHEMBL4041636 single protein format
CHEMBL3585784 OBDepict CH 3 O N H H 3 C O S CH 3 O O NH 2 Ki = 0.6875 nM 260.31 COc1cccc(OC)c1C(C)NS(N)(=O)=O Homo sapiens CHEMBL3588576 cell-based format
CHEMBL4076887 OBDepict O N H S N N S N O NH Cl Cl Ki = 0.69 nM 504.42 O=C(CSc1nnc(Nc2ccccc2)s1)N/N=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1 Homo sapiens CHEMBL4035708 cell membrane format
CHEMBL4453778 OBDepict F N N O S O O NH 2 Ki = 0.69 nM 377.44 NS(=O)(=O)c1ccc(C(=O)N2CCN(Cc3ccc(F)cc3)CC2)cc1 Homo sapiens CHEMBL4331760 single protein format
CHEMBL4069396 OBDepict O HN S N H S N O O N N N IC50 = 0.699 nM 446.56 O=C(CSC(=S)NN1CCN(c2ncccn2)CC1)NCc1ccc2c(c1)OCO2 Homo sapiens CHEMBL4041636 single protein format
CHEMBL427329 OBDepict SH N N H F S HN O O N S N S O O NH 2 Ki = 0.7 nM 488.57 NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccc(N/C(S)=N/c3ccccc3F)cc2)s1 Homo sapiens CHEMBL828770 single protein format
CHEMBL445650 OBDepict HS N H N HN F F S F F HN O O N S N S O O NH 2 F Ki = 0.7 nM 575.55 NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccc(N/C(S)=N/Nc3c(F)c(F)c(F)c(F)c3F)cc2)s1 Homo sapiens CHEMBL828770 single protein format
CHEMBL4105008 OBDepict O N H S N N S N O NH Cl IC50 = 0.77 nM 469.98 O=C(CSc1nnc(Nc2ccccc2)s1)N/N=C/c1ccc(-c2ccccc2Cl)o1 Homo sapiens CHEMBL4035706 cell membrane format
CHEMBL4064130 OBDepict O N H S N N S N O HN Cl Ki = 0.77 nM 469.98 O=C(CSc1nnc(Nc2ccccc2)s1)N/N=C/c1ccc(-c2cccc(Cl)c2)o1 Homo sapiens CHEMBL4035708 cell membrane format
CHEMBL4064334 OBDepict CH 3 O O H H Br Br Br O O CH 3 CH 3 Ki = 0.81 nM 501.01 CCOC(=O)[C@@H]1C[C@H]1Cc1c(Br)c(Br)c(OC)c(OC)c1Br Homo sapiens CHEMBL4000257 single protein format
CHEMBL4649709 OBDepict F N O N O S O O NH 2 Ki = 0.84 nM 391.42 NS(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)c3cccc(F)c3)CC2)cc1 Homo sapiens CHEMBL4606700 single protein format
CHEMBL3809959 OBDepict NH 2 S O O N H S N N Ki = 0.84 nM 338.46 NS(=O)(=O)c1ccc(Nc2nc(N3CCCCC3)cs2)cc1 Homo sapiens CHEMBL3811427 single protein format
CHEMBL3809123 OBDepict NH 2 N NH 2 S O O N H N S O N HN S O O NH 2 Ki = 0.85 nM 496.56 NC(N)=NS(=O)(=O)c1ccc(N/N=C2SC(Nc3ccc(S(N)(=O)=O)cc3)=NC2=O)cc1 Homo sapiens CHEMBL3811427 single protein format
CHEMBL2023727 OBDepict _ S N S O + Na Ki = 0.88 nM 185.25 S=C([S-])N1CCOCC1.[Na+] Homo sapiens CHEMBL2025934 single protein format
CHEMBL4098116 OBDepict O N H S N N S N O NH + N O _ O Cl Ki = 0.9 nM 514.98 O=C(CSc1nnc(Nc2ccccc2)s1)N/N=C/c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 Homo sapiens CHEMBL4035708 cell membrane format
CHEMBL4072122 OBDepict O N H S N N S N O NH + N O _ O Ki = 0.9 nM 480.53 O=C(CSc1nnc(Nc2ccccc2)s1)N/N=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1 Homo sapiens CHEMBL4035709 cell membrane format
CHEMBL4090426 OBDepict O HN S N H S N O O N + N O _ O IC50 = 0.903 nM 489.58 O=C(CSC(=S)NN1CCN(c2ccc([N+](=O)[O-])cc2)CC1)NCc1ccc2c(c1)OCO2 Homo sapiens CHEMBL4041636 single protein format
CHEMBL521690 OBDepict _ O 3+ Cl _ O _ O _ O H 3 C O N N H O H + N S O O NH 2 H 3 C CH 3 CH 3 Ki = 0.92 nM 565.0 COc1cccc(-c2c(C(=O)N[n+]3c(C)cc(C)cc3C)[nH]c3ccc(S(N)(=O)=O)cc23)c1.[O-][Cl+3]([O-])([O-])[O-] Homo sapiens CHEMBL938997 single protein format
CHEMBL2021946 OBDepict _ S N S + Na Ki = 0.96 nM 169.25 S=C([S-])N1CCCC1.[Na+] Homo sapiens CHEMBL2025934 single protein format
CHEMBL468946 OBDepict _ O 3+ Cl _ O _ O _ O H 3 C N N H O H + N S O O NH 2 H 3 C CH 3 CH 3 Ki = 0.97 nM 549.01 Cc1ccc(-c2c(C(=O)N[n+]3c(C)cc(C)cc3C)[nH]c3ccc(S(N)(=O)=O)cc23)cc1.[O-][Cl+3]([O-])([O-])[O-] Homo sapiens CHEMBL938997 single protein format
CHEMBL2023719 OBDepict CH 3 CH 3 N S _ S H 3 C CH 3 + Na Ki = 0.97 nM 227.37 CC(C)CN(CC(C)C)C(=S)[S-].[Na+] Homo sapiens CHEMBL2025934 single protein format
CHEMBL466234 OBDepict _ O 3+ Cl _ O _ O _ O CH 3 CH 3 + N H 3 C N H O N H H 3 C S O O NH 2 Ki = 0.98 nM 549.01 Cc1cc(C)[n+](NC(=O)c2[nH]c3ccc(S(N)(=O)=O)cc3c2-c2ccccc2C)c(C)c1.[O-][Cl+3]([O-])([O-])[O-] Homo sapiens CHEMBL938997 single protein format
CHEMBL4065358 OBDepict H 3 C O O H H Br Br O O CH 3 H 3 C Ki = 0.99 nM 422.11 CCOC(=O)[C@@H]1C[C@@H]1Cc1c(Br)cc(OC)c(OC)c1Br Homo sapiens CHEMBL4000257 single protein format
CHEMBL69229 OBDepict H 2 N Br Br S HN O O N S N S O O NH 2 Ki = 1.0 nM 493.18 Nc1c(Br)cc(S(=O)(=O)Nc2nnc(S(N)(=O)=O)s2)cc1Br Homo sapiens CHEMBL657820 single protein format
CHEMBL331083 OBDepict H 2 N S N O O S N CH 3 N S O O NH 2 Ki = 1.0 nM 349.42 Cn1nc(S(N)(=O)=O)s/c1=NS(=O)(=O)c1ccc(N)cc1 Homo sapiens CHEMBL657828 single protein format
CHEMBL304757 OBDepict F H 2 N S Br HN O O N S N S O O NH 2 Ki = 1.0 nM 432.28 Nc1c(F)cc(S(=O)(=O)Nc2nnc(S(N)(=O)=O)s2)cc1Br Homo sapiens CHEMBL657820 single protein format
CHEMBL13630 OBDepict H 2 N S N O O S N CH 3 N S O O NH 2 Ki = 1.0 nM 349.42 Cn1nc(S(N)(=O)=O)s/c1=N/S(=O)(=O)c1ccc(N)cc1 Homo sapiens CHEMBL657821 single protein format
CHEMBL158693 OBDepict Cl O O HN S N O O S N CH 3 N S O O NH 2 Ki = 1.0 nM 542.02 Cn1nc(S(N)(=O)=O)s/c1=NS(=O)(=O)c1ccc(NCc2cc(=O)oc3cc(Cl)ccc23)cc1 Homo sapiens CHEMBL657817 single protein format
CHEMBL302706 OBDepict H 2 N Cl Cl S HN O O N S N S O O NH 2 Ki = 1.1 nM 404.28 Nc1c(Cl)cc(S(=O)(=O)Nc2nnc(S(N)(=O)=O)s2)cc1Cl Homo sapiens CHEMBL657820 single protein format
CHEMBL4105008 OBDepict O N H S N N S N O NH Cl Ki = 1.12 nM 469.98 O=C(CSc1nnc(Nc2ccccc2)s1)N/N=C/c1ccc(-c2ccccc2Cl)o1 Homo sapiens CHEMBL4035708 cell membrane format
CHEMBL3759134 OBDepict CH 3 N N O S O O NH 2 Ki = 1.13 nM 369.45 CCCc1ccc(-c2ccc(=O)n(-c3ccc(S(N)(=O)=O)cc3)n2)cc1 Homo sapiens CHEMBL3761631 single protein format
CHEMBL305488 OBDepict Cl H 2 N S Br HN O O N S N S O O NH 2 Ki = 1.3 nM 448.73 Nc1c(Cl)cc(S(=O)(=O)Nc2nnc(S(N)(=O)=O)s2)cc1Br Homo sapiens CHEMBL657820 single protein format
CHEMBL71611 OBDepict F H 2 N S Cl HN O O N S N S O O NH 2 Ki = 1.4 nM 387.83 Nc1c(F)cc(S(=O)(=O)Nc2nnc(S(N)(=O)=O)s2)cc1Cl Homo sapiens CHEMBL657820 single protein format
CHEMBL4060739 OBDepict CH 3 O O Br CH 3 Br H H O HO Ki = 1.48 nM 394.06 COc1cc(Br)c(C[C@@H]2C[C@H]2C(=O)O)c(Br)c1OC Homo sapiens CHEMBL4000257 single protein format
CHEMBL4453207 OBDepict CH 3 O Te S O O NH 2 Ki = 1.5 nM 404.95 COc1ccc([Te]Cc2ccc(S(N)(=O)=O)cc2)cc1 Homo sapiens CHEMBL4813207 single protein format
CHEMBL468945 OBDepict _ O 3+ Cl _ O _ O _ O CH 3 H 3 C + N CH 3 N H O N H CH 3 S O O NH 2 Ki = 1.5 nM 549.01 Cc1cccc(-c2c(C(=O)N[n+]3c(C)cc(C)cc3C)[nH]c3ccc(S(N)(=O)=O)cc23)c1.[O-][Cl+3]([O-])([O-])[O-] Homo sapiens CHEMBL938997 single protein format
CHEMBL185041 OBDepict CH 3 N H O CH 3 S O O NH 2 Ki = 1.6 nM 366.53 CCCCC(CCCC)C(=O)NC1Cc2ccc(S(N)(=O)=O)cc2C1 Homo sapiens CHEMBL828771 single protein format
CHEMBL273046 OBDepict H 3 C O O H O H O H N H O N H O O H 3 C N O CH 3 O CH 3 S O O NH 2 Ki = 1.6 nM 554.53 CC(=O)OC[C@H]1O[C@H](n2cc(-c3ccc(S(N)(=O)=O)cc3)nn2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O Homo sapiens CHEMBL951055 single protein format
CHEMBL306832 OBDepict Cl H 2 N S I HN O O N S N S O O NH 2 Ki = 1.6 nM 495.73 Nc1c(Cl)cc(S(=O)(=O)Nc2nnc(S(N)(=O)=O)s2)cc1I Homo sapiens CHEMBL657820 single protein format
CHEMBL4061017 OBDepict CH 3 N N H S S NH O O O IC50 = 1.69 nM 381.52 CC1CCN(NC(=S)SCC(=O)NCc2ccc3c(c2)OCO3)CC1 Homo sapiens CHEMBL4041636 single protein format
CHEMBL4437968 OBDepict O N S O O NH 2 Ki = 1.7 nM 344.44 NS(=O)(=O)c1ccc(C(=O)N2CCC(c3ccccc3)CC2)cc1 Homo sapiens CHEMBL4331760 single protein format
CHEMBL3760118 OBDepict O N N S O O NH 2 O Ki = 1.7 nM 419.46 NS(=O)(=O)c1ccc(-n2nc(-c3ccc(Oc4ccccc4)cc3)ccc2=O)cc1 Homo sapiens CHEMBL3761631 single protein format
CHEMBL308677 OBDepict F H 2 N S I HN O O N S N S O O NH 2 Ki = 1.7 nM 479.28 Nc1c(F)cc(S(=O)(=O)Nc2nnc(S(N)(=O)=O)s2)cc1I Homo sapiens CHEMBL657820 single protein format
CHEMBL3601892 OBDepict NH 2 S O O N S N S Ki = 1.8 nM 419.6 NS(=O)(=O)c1ccc(/N=c2scc(-c3cccs3)n2C2CCCCC2)cc1 Homo sapiens CHEMBL3602572 single protein format
CHEMBL70524 OBDepict H 2 N Br S HN O O N S N S O O NH 2 Ki = 1.9 nM 414.29 Nc1ccc(S(=O)(=O)Nc2nnc(S(N)(=O)=O)s2)cc1Br Homo sapiens CHEMBL657820 single protein format
CHEMBL71657 OBDepict Br H 2 N S I HN O O N S N S O O NH 2 Ki = 1.9 nM 540.18 Nc1c(Br)cc(S(=O)(=O)Nc2nnc(S(N)(=O)=O)s2)cc1I Homo sapiens CHEMBL657820 single protein format
CHEMBL275565 OBDepict S N S N H O S N O O S N CH 3 N S O O NH 2 Ki = 2.0 nM 510.67 Cn1nc(S(N)(=O)=O)s/c1=N/S(=O)(=O)c1ccc(NSC(=S)N2CCOCC2)cc1 Homo sapiens CHEMBL653170 single protein format
CHEMBL68506 OBDepict H 2 N I I S HN O O N S N S O O NH 2 Ki = 2.1 nM 587.18 Nc1c(I)cc(S(=O)(=O)Nc2nnc(S(N)(=O)=O)s2)cc1I Homo sapiens CHEMBL657820 single protein format
CHEMBL24259 OBDepict NH 2 S O O O Ki = 2.1 nM 173.19 NS(=O)(=O)Oc1ccccc1 Homo sapiens CHEMBL653166 single protein format
CHEMBL304973 OBDepict H 2 N I S HN O O N S N S O O NH 2 Ki = 2.1 nM 461.29 Nc1ccc(S(=O)(=O)Nc2nnc(S(N)(=O)=O)s2)cc1I Homo sapiens CHEMBL657820 single protein format
CHEMBL2392425 OBDepict OH Br S O N H N S O O NH 2 IC50 = 2.13 nM 454.33 NS(=O)(=O)c1ccc(/N=C2/NC(=O)/C(=C/c3cc(O)ccc3Br)S2)cc1 Homo sapiens CHEMBL2394011 cell-based format
CHEMBL4086787 OBDepict H 3 C O O H H Br O Br H 3 C O H 3 C Ki = 2.18 nM 422.11 CCOC(=O)[C@@H]1C[C@@H]1Cc1cc(OC)c(OC)c(Br)c1Br Homo sapiens CHEMBL4000257 single protein format
CHEMBL4073364 OBDepict F N O HO HO S O O NH 2 Ki = 2.2 nM 442.47 NS(=O)(=O)c1ccc(C(=O)N2CCc3cc(O)c(O)cc3C2c2ccc(F)cc2)cc1 Homo sapiens CHEMBL4015663 single protein format
CHEMBL4461878 OBDepict HO N N H O N S N S O O NH 2 Ki = 2.2 nM 341.37 NS(=O)(=O)c1nnc(NC(=O)/C(Cc2ccccc2)=N/O)s1 Homo sapiens CHEMBL4334863 assay format
CHEMBL4068066 OBDepict H 3 C O O H H Br O Br H 3 C O H 3 C Ki = 2.29 nM 422.11 CCOC(=O)[C@@H]1C[C@H]1Cc1cc(OC)c(OC)c(Br)c1Br Homo sapiens CHEMBL4000257 single protein format
CHEMBL3759464 OBDepict CH 3 O N N O S O O NH 2 Ki = 2.34 nM 371.42 CCOc1ccc(-c2ccc(=O)n(-c3ccc(S(N)(=O)=O)cc3)n2)cc1 Homo sapiens CHEMBL3761631 single protein format
CHEMBL2023730 OBDepict _ O O H N S _ S + Na + Na Ki = 2.5 nM 235.24 O=C([O-])[C@@H]1CCCN1C(=S)[S-].[Na+].[Na+] Homo sapiens CHEMBL2025934 single protein format
CHEMBL307698 OBDepict H 2 N Cl S HN O O N S N S O O NH 2 Ki = 2.5 nM 369.84 Nc1ccc(S(=O)(=O)Nc2nnc(S(N)(=O)=O)s2)cc1Cl Homo sapiens CHEMBL657820 single protein format
CHEMBL409306 OBDepict H O N N H OH N H OH H HO S O O NH 2 Ki = 2.5 nM 356.36 NS(=O)(=O)c1ccc(-c2cn([C@H]3OC[C@@H](O)[C@@H](O)[C@@H]3O)nn2)cc1 Homo sapiens CHEMBL951055 single protein format
CHEMBL3786873 OBDepict OH HN S N O O H 3 C H 3 C Ki = 2.61 nM 270.35 CN(C)S(=O)(=O)NC1CCc2c(O)cccc2C1 Homo sapiens CHEMBL3789780 single protein format
CHEMBL3785269 OBDepict CH 3 O HN S N O O H 3 C H 3 C Ki = 2.75 nM 284.38 COc1cccc2c1CCC(NS(=O)(=O)N(C)C)C2 Homo sapiens CHEMBL3789780 single protein format
CHEMBL3759757 OBDepict O N N S O O NH 2 Ki = 2.77 nM 403.46 NS(=O)(=O)c1ccc(-n2nc(-c3ccc4c5c(cccc35)CC4)ccc2=O)cc1 Homo sapiens CHEMBL3761631 single protein format