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Q9NZ45 | CISD1_HUMAN | CDGSH iron-sulfur domain-containing protein 1 (CISD1)

3D structures mapped by conservation among orthologs

[ Domain: "Type 1 and 2" // zf-CDGSH_1 ]

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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
CHEMBL3979616 OBDepict OH O O OH Ki = 6.0 nM 254.24 O=C1/C(=Cc2ccccc2O)Oc2cc(O)ccc21 Homo sapiens CHEMBL3863231 assay format
CHEMBL3893332 OBDepict CH 3 O O S O N H S CH 3 Ki = 22.0 nM 371.48 COc1cc(/C=C2/SC(=S)NC2=O)ccc1OCc1ccc(C)cc1 Homo sapiens CHEMBL3863231 assay format
CHEMBL3970270 OBDepict CH 3 O O S O N H O Ki = 29.0 nM 383.47 CCc1ccc(OCCCOc2ccc(/C=C3/SC(=O)NC3=O)cc2)cc1 Homo sapiens CHEMBL3863231 assay format
CHEMBL121 OBDepict O HN S O O N CH 3 N Ki = 31.0 nM 357.44 CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ccccn1 Homo sapiens CHEMBL3863231 assay format
CHEMBL230515 OBDepict CH 3 O O S O N H S Ki = 33.0 nM 357.46 COc1cc(/C=C2/SC(=S)NC2=O)ccc1OCc1ccccc1 Homo sapiens CHEMBL3863231 assay format
CHEMBL3890124 OBDepict O N H S O O O Cl Ki = 36.0 nM 375.83 O=C1NC(=O)/C(=Cc2ccc(OCCOc3ccccc3Cl)cc2)S1 Homo sapiens CHEMBL3863231 assay format
CHEMBL496587 OBDepict O N H S O Br Ki = 37.0 nM 284.13 O=C1NC(=O)/C(=C/c2cccc(Br)c2)S1 Homo sapiens CHEMBL3863231 assay format
CHEMBL3948168 OBDepict HO O O N CH 3 CH 3 Ki = 39.0 nM 281.31 CN(C)c1ccc(/C=C2/Oc3cc(O)ccc3C2=O)cc1 Homo sapiens CHEMBL3863231 assay format
CHEMBL3959175 OBDepict S N H S O Cl O F Ki = 40.0 nM 379.87 O=C1NC(=S)S/C1=C/c1ccc(OCc2ccc(F)cc2)c(Cl)c1 Homo sapiens CHEMBL3863231 assay format
CHEMBL2348829 OBDepict S N H S O Br Ki = 46.0 nM 300.2 O=C1NC(=S)S/C1=Cc1cccc(Br)c1 Homo sapiens CHEMBL3863231 assay format
CHEMBL3909388 OBDepict CH 3 N CH 3 O O Ki = 52.0 nM 265.31 CN(C)c1ccc(/C=C2/Oc3ccccc3C2=O)cc1 Homo sapiens CHEMBL3863231 assay format
CHEMBL3924991 OBDepict O N H S O O O Cl Ki = 60.0 nM 389.86 O=C1NC(=O)/C(=Cc2ccc(OCCCOc3ccccc3Cl)cc2)S1 Homo sapiens CHEMBL3863231 assay format
CHEMBL255822 OBDepict CH 3 O OH S O N H S Ki = 74.0 nM 267.33 COc1cc(/C=C2SC(=S)NC2=O)ccc1O Homo sapiens CHEMBL3863231 assay format
CHEMBL2218926 OBDepict N N Br OH H 3 C H 3 C CH 3 Ki = 77.0 nM 305.17 CC(C)(C)c1cc(C=C(C#N)C#N)cc(Br)c1O Homo sapiens CHEMBL3863231 assay format
CHEMBL305695 OBDepict N N HO Ki = 78.0 nM 170.17 N#CC(C#N)=Cc1ccc(O)cc1 Homo sapiens CHEMBL3863231 assay format
CHEMBL2018126 OBDepict S N H S O Br HO Ki = 84.0 nM 316.2 O=C1NC(=S)S/C1=Cc1ccc(O)c(Br)c1 Homo sapiens CHEMBL3863231 assay format
CHEMBL140 OBDepict CH 3 O OH O O O HO H 3 C Ki = 101.0 nM 368.39 COc1cc(/C=C/C(=O)CC(=O)/C=C/c2ccc(O)c(OC)c2)ccc1O Homo sapiens CHEMBL3863231 assay format
CHEMBL3956710 OBDepict Cl Br Br S N H O S Ki = 125.0 nM 413.54 O=C1NC(=S)S/C1=Cc1cc(Br)c(Cl)cc1Br Homo sapiens CHEMBL3863231 assay format
CHEMBL150 OBDepict OH O OH O HO OH Ki = 132.0 nM 286.24 O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12 Homo sapiens CHEMBL3863231 assay format
CHEMBL224467 OBDepict O N H S S Br Ki = 136.0 nM 300.2 O=C1NC(=S)S/C1=Cc1ccc(Br)cc1 Homo sapiens CHEMBL3863231 assay format
CHEMBL3976274 OBDepict O N H S O N N Ki = 139.0 nM 257.27 O=C1NC(=O)/C(=C/c2cccc3nccnc23)S1 Homo sapiens CHEMBL3863231 assay format
CHEMBL3967845 OBDepict O N H S O Br Br HO Ki = 141.0 nM 379.03 O=C1NC(=O)/C(=C/c2cc(Br)c(O)c(Br)c2)S1 Homo sapiens CHEMBL3863231 assay format
CHEMBL3891346 OBDepict S N H S O F F F Ki = 141.0 nM 289.3 O=C1NC(=S)S/C1=Cc1cccc(C(F)(F)F)c1 Homo sapiens CHEMBL3863231 assay format
CHEMBL3982310 OBDepict CH 3 O O O N HO O O S N CH 3 CH 3 Ki = 141.0 nM 452.49 COc1cccc2c1OC(C(=O)C1=C(O)C(=O)N(c3nc(C)c(C)s3)C1c1ccco1)C2 Homo sapiens CHEMBL3863231 assay format
CHEMBL1208633 OBDepict OH O S O O OH HO Ki = 144.0 nM 308.31 O=S(=O)(O)Oc1cc(O)cc(/C=C/c2ccc(O)cc2)c1 Homo sapiens CHEMBL3863231 assay format
CHEMBL289159 OBDepict CH 3 O N H H NH O N H 3 C CH 3 O H Ki = 145.0 nM 381.48 COc1ccc2c(C[C@@H]3NC(=O)[C@@H]4CCCN4C3=O)c(CC=C(C)C)[nH]c2c1 Homo sapiens CHEMBL3863231 assay format
CHEMBL3979616 OBDepict OH O O OH IC50 = 148.0 nM 254.24 O=C1/C(=Cc2ccccc2O)Oc2cc(O)ccc21 Homo sapiens CHEMBL3863230 assay format
CHEMBL3945250 OBDepict NH N H Ki = 148.0 nM 216.33 c1ccc(C2CC2NC2CCNCC2)cc1 Homo sapiens CHEMBL3863231 assay format
CHEMBL3927255 OBDepict O N H S O Br HO Ki = 165.0 nM 300.13 O=C1NC(=O)/C(=C/c2ccc(O)c(Br)c2)S1 Homo sapiens CHEMBL3863231 assay format
CHEMBL3930279 OBDepict H 3 C O HO O H 3 C S O N H S Ki = 191.0 nM 297.36 COc1cc(/C=C2SC(=S)NC2=O)cc(OC)c1O Homo sapiens CHEMBL3863231 assay format
CHEMBL380899 OBDepict CH 3 N S S O Cl Ki = 213.0 nM 269.78 CN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S Homo sapiens CHEMBL3863231 assay format
CHEMBL1823804 OBDepict O N H S O O O F F Ki = 224.0 nM 287.24 O=C1NC(=O)C(Cc2ccc3c(c2)OC(F)(F)O3)S1 Homo sapiens CHEMBL3863231 assay format
CHEMBL3938874 OBDepict O N H S S N Ki = 255.0 nM 222.29 O=C1NC(=S)S/C1=Cc1ccncc1 Homo sapiens CHEMBL3863231 assay format
CHEMBL183906 OBDepict O N H S O F F F Ki = 297.0 nM 273.24 O=C1NC(=O)/C(=C/c2cccc(C(F)(F)F)c2)S1 Homo sapiens CHEMBL3863231 assay format
CHEMBL602048 OBDepict CH 3 CH 3 CH 3 OH H 3 C H 3 C CH 3 S OH N O Ki = 315.0 nM 335.47 CC(C)(C)c1cc(CC2SC(=O)N=C2O)cc(C(C)(C)C)c1O Homo sapiens CHEMBL3863231 assay format
CHEMBL3917957 OBDepict CH 3 N H O N S O Cl O F Ki = 341.0 nM 404.85 CC(=O)NC1=NC(=O)/C(=Cc2ccc(OCc3cccc(F)c3)c(Cl)c2)S1 Homo sapiens CHEMBL3863231 assay format
CHEMBL595 OBDepict CH 3 N O S O N H O Ki = 370.0 nM 356.45 CCc1ccc(CCOc2ccc(CC3SC(=O)NC3=O)cc2)nc1 Homo sapiens CHEMBL3863231 assay format
CHEMBL231616 OBDepict NH 2 N H S N N NH 2 Ki = 388.0 nM 195.25 NC(=S)N/N=C/c1ncccc1N Homo sapiens CHEMBL3863231 assay format
CHEMBL1823802 OBDepict O HN S O CH 3 CH 3 OH Ki = 409.0 nM 251.31 Cc1cc(CC2SC(=O)NC2=O)cc(C)c1O Homo sapiens CHEMBL3863231 assay format
CHEMBL3967264 OBDepict HO O N S S O Ki = 412.0 nM 293.37 O=C(O)CCN1C(=O)/C(=C/c2ccccc2)SC1=S Homo sapiens CHEMBL3863231 assay format
CHEMBL3936343 OBDepict OH N O + N _ O O Ki = 413.0 nM 346.34 O=c1c(-c2ccc(Oc3ccccc3)cc2)[n+]([O-])c2ccccc2n1O Homo sapiens CHEMBL3863231 assay format
CHEMBL3929569 OBDepict O N H S O N H S Ki = 472.0 nM 264.33 O=C(/C=C1SC(=S)NC1=O)Nc1ccccc1 Homo sapiens CHEMBL3863231 assay format
CHEMBL3893332 OBDepict CH 3 O O S O N H S CH 3 IC50 = 518.0 nM 371.48 COc1cc(/C=C2/SC(=S)NC2=O)ccc1OCc1ccc(C)cc1 Homo sapiens CHEMBL3863230 assay format
CHEMBL1823803 OBDepict O HN S O CH 3 CH 3 Ki = 570.0 nM 235.31 Cc1cc(C)cc(CC2SC(=O)NC2=O)c1 Homo sapiens CHEMBL3863231 assay format
CHEMBL3901608 OBDepict S NH S O N H O HO Ki = 583.0 nM 280.33 O=C(/C=C1SC(=S)NC1=O)Nc1cccc(O)c1 Homo sapiens CHEMBL3863231 assay format
CHEMBL1061 OBDepict O N H S O HO Ki = 598.0 nM 223.25 O=C1NC(=O)C(Cc2ccc(O)cc2)S1 Homo sapiens CHEMBL3863231 assay format
CHEMBL500110 OBDepict CH 3 N S S O Ki = 646.0 nM 235.33 CN1C(=O)/C(=C/c2ccccc2)SC1=S Homo sapiens CHEMBL3863231 assay format
CHEMBL3970270 OBDepict CH 3 O O S O N H O IC50 = 686.1 nM 383.47 CCc1ccc(OCCCOc2ccc(/C=C3/SC(=O)NC3=O)cc2)cc1 Homo sapiens CHEMBL3863230 assay format
CHEMBL121 OBDepict O HN S O O N CH 3 N IC50 = 731.0 nM 357.44 CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ccccn1 Homo sapiens CHEMBL3863230 assay format
CHEMBL230515 OBDepict CH 3 O O S O N H S IC50 = 770.1 nM 357.46 COc1cc(/C=C2/SC(=S)NC2=O)ccc1OCc1ccccc1 Homo sapiens CHEMBL3863230 assay format
CHEMBL572 OBDepict O NH N O N O + N O _ O Ki = 816.0 nM 238.16 O=C1CN(/N=C/c2ccc([N+](=O)[O-])o2)C(=O)N1 Homo sapiens CHEMBL3863231 assay format
CHEMBL3928502 OBDepict H 3 C N O S O N Ki = 831.0 nM 248.31 CCCN1C(=O)S/C(=Cc2ccncc2)C1=O Homo sapiens CHEMBL3863231 assay format
CHEMBL3890124 OBDepict O N H S O O O Cl IC50 = 838.9 nM 375.83 O=C1NC(=O)/C(=Cc2ccc(OCCOc3ccccc3Cl)cc2)S1 Homo sapiens CHEMBL3863230 assay format
CHEMBL1823807 OBDepict O N H S O Br IC50 = 860.0 nM 284.13 O=C1NC(=O)/C(=Cc2cccc(Br)c2)S1 Homo sapiens CHEMBL1826572 single protein format
CHEMBL496587 OBDepict O N H S O Br IC50 = 860.0 nM 284.13 O=C1NC(=O)/C(=C/c2cccc(Br)c2)S1 Homo sapiens CHEMBL3863230 assay format
CHEMBL3948168 OBDepict HO O O N CH 3 CH 3 IC50 = 910.0 nM 281.31 CN(C)c1ccc(/C=C2/Oc3cc(O)ccc3C2=O)cc1 Homo sapiens CHEMBL3863230 assay format
CHEMBL3959175 OBDepict S N H S O Cl O F IC50 = 945.4 nM 379.87 O=C1NC(=S)S/C1=C/c1ccc(OCc2ccc(F)cc2)c(Cl)c1 Homo sapiens CHEMBL3863230 assay format
CHEMBL3911800 OBDepict O N H S O N Ki = 952.0 nM 206.23 O=C1NC(=O)/C(=C/c2ccncc2)S1 Homo sapiens CHEMBL3863231 assay format