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Q9NTG7 | SIR3_HUMAN | "NAD-dependent protein deacetylase sirtuin-3, mitochondrial" (SIRT3)

3D structures mapped by conservation among orthologs

[ Domain: "DHS-like NAD/FAD-binding domain" // SIR2_1st ]

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[ Domain: "Rubredoxin-related" // SIR2_2nd_1 ]

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[ Domain: pdbs with more than 2 multi-domains ]

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[ Alpha Fold Model ] (go)


Known binders annotated in ChEMBL

IC50 table

molecule_chembl_id structure assay_type relation values units mol_wt smiles organism assay_chembl_id bao_label
CHEMBL2332041 OBDepict O N H S O O CH 3 CH 3 CH 3 N N S N O H 2 N IC50 = 3.2 nM 515.66 CC(C)(C)OC(=O)c1ccc(C(=O)NCCC2CCN(c3ncnc4cc(C(N)=O)sc34)CC2)s1 Homo sapiens CHEMBL2340697 assay format
CHEMBL2332039 OBDepict H 3 C N H O S N H O N N S N O H 2 N IC50 = 4.0 nM 486.62 CCNC(=O)c1ccc(C(=O)NCCC2CCN(c3ncnc4cc(C(N)=O)sc34)CC2)s1 Homo sapiens CHEMBL2340697 assay format
CHEMBL2332037 OBDepict CH 3 N H O N H O N N S N O H 2 N IC50 = 4.9 nM 480.59 CCNC(=O)c1cccc(C(=O)NCCC2CCN(c3ncnc4cc(C(N)=O)sc34)CC2)c1 Homo sapiens CHEMBL2340697 assay format
CHEMBL2338810 OBDepict H 2 N O S N N N HN S O O CH 3 IC50 = 7.2 nM 383.5 CS(=O)(=O)NCCC1CCN(c2ncnc3cc(C(N)=O)sc23)CC1 Homo sapiens CHEMBL2340697 assay format
CHEMBL2332043 OBDepict O N H S N N S N O H 2 N IC50 = 7.6 nM 415.54 NC(=O)c1cc2ncnc(N3CCC(CCNC(=O)c4cccs4)CC3)c2s1 Homo sapiens CHEMBL2340697 assay format
CHEMBL2332042 OBDepict O N H S O HO N N S N O H 2 N IC50 = 13.0 nM 459.55 NC(=O)c1cc2ncnc(N3CCC(CCNC(=O)c4ccc(C(=O)O)s4)CC3)c2s1 Homo sapiens CHEMBL2340697 assay format
CHEMBL2332040 OBDepict H 3 C N H O S N H O N N N S N O H 2 N IC50 = 23.0 nM 487.61 CCNC(=O)c1ccc(C(=O)NCCN2CCN(c3ncnc4cc(C(N)=O)sc34)CC2)s1 Homo sapiens CHEMBL2340697 assay format
CHEMBL2332038 OBDepict CH 3 N H O N H O N N N S N O H 2 N IC50 = 24.0 nM 481.58 CCNC(=O)c1cccc(C(=O)NCCN2CCN(c3ncnc4cc(C(N)=O)sc34)CC2)c1 Homo sapiens CHEMBL2340697 assay format
CHEMBL2338813 OBDepict H 2 N O S N N N N IC50 = 28.0 nM 359.5 NC(=O)c1cc2ncnc(N3CCC(CCN4CCCC4)CC3)c2s1 Homo sapiens CHEMBL2340697 assay format
CHEMBL2332044 OBDepict O O HN CH 3 CH 3 CH 3 N N S N O H 2 N IC50 = 29.0 nM 405.52 CC(C)(C)OC(=O)NCCC1CCN(c2ncnc3cc(C(N)=O)sc23)CC1 Homo sapiens CHEMBL2340697 assay format
CHEMBL2338814 OBDepict H 2 N O S N N N N N IC50 = 30.0 nM 360.49 NC(=O)c1cc2ncnc(N3CCN(CCN4CCCC4)CC3)c2s1 Homo sapiens CHEMBL2340697 assay format
CHEMBL2332055 OBDepict O HN CH 3 H 3 C CH 3 N N S N O H 2 N IC50 = 33.0 nM 389.53 CC(C)(C)C(=O)NCCC1CCN(c2ncnc3cc(C(N)=O)sc23)CC1 Homo sapiens CHEMBL2340697 assay format
CHEMBL2332052 OBDepict CH 3 HN S N N S N O H 2 N IC50 = 39.0 nM 363.51 CC(=S)NCCC1CCN(c2ncnc3cc(C(N)=O)sc23)CC1 Homo sapiens CHEMBL2340697 assay format
CHEMBL2332045 OBDepict CH 3 HN O N N S N O H 2 N IC50 = 56.0 nM 347.44 CC(=O)NCCC1CCN(c2ncnc3cc(C(N)=O)sc23)CC1 Homo sapiens CHEMBL2340697 assay format
CHEMBL2338812 OBDepict H 2 N O S N N N N IC50 = 61.0 nM 345.47 NC(=O)c1cc2ncnc(N3CCC(CN4CCCC4)CC3)c2s1 Homo sapiens CHEMBL2340697 assay format
CHEMBL2338808 OBDepict O NH CH 3 CH 3 CH 3 N N S N O H 2 N IC50 = 67.0 nM 403.55 CC(C)(C)C(=O)NCCCC1CCN(c2ncnc3cc(C(N)=O)sc23)CC1 Homo sapiens CHEMBL2340697 assay format
CHEMBL2338809 OBDepict NH 2 O S N N N N NH O CH 3 H 3 C CH 3 IC50 = 92.0 nM 390.51 CC(C)(C)C(=O)NCCN1CCN(c2ncnc3cc(C(N)=O)sc23)CC1 Homo sapiens CHEMBL2340697 assay format
CHEMBL2338816 OBDepict O HN CH 3 H 3 C CH 3 N S N O H 2 N IC50 = 110.0 nM 388.54 CC(C)(C)C(=O)NCCC1CCN(c2ccnc3cc(C(N)=O)sc23)CC1 Homo sapiens CHEMBL2340697 assay format
CHEMBL2338818 OBDepict O HN H 3 C H 3 C CH 3 N N S N CH 3 O H 2 N IC50 = 150.0 nM 403.55 Cc1c(C(N)=O)sc2c(N3CCC(CCNC(=O)C(C)(C)C)CC3)ncnc12 Homo sapiens CHEMBL2340697 assay format
CHEMBL2332053 OBDepict CH 3 HN S N N N S N O H 2 N IC50 = 280.0 nM 364.5 CC(=S)NCCN1CCN(c2ncnc3cc(C(N)=O)sc23)CC1 Homo sapiens CHEMBL2340697 assay format
CHEMBL2332046 OBDepict NH 2 N N S N O H 2 N IC50 = 300.0 nM 305.41 NCCC1CCN(c2ncnc3cc(C(N)=O)sc23)CC1 Homo sapiens CHEMBL2340697 assay format
CHEMBL3608444 OBDepict H 3 C N H O H HN O H N H O HN H O CH 3 O H 2 N N H S CH 3 IC50 = 320.0 nM 576.76 CC(=O)NCCCC[C@H](NC(C)=O)C(=O)N[C@@H](CCCCNC(C)=S)C(=O)N[C@@H](CCc1ccccc1)C(N)=O Homo sapiens CHEMBL3610048 single protein format
CHEMBL3609653 OBDepict H 3 C NH O HN H N H O O CH 3 H HN O H O H 2 N N H N H O CH 3 S CH 3 IC50 = 360.0 nM 543.69 CC(=O)NCCCC[C@H](NC(C)=O)C(=O)N[C@@H](CCCCNC(C)=S)C(=O)N[C@@H](CNC(C)=O)C(N)=O Homo sapiens CHEMBL3610048 single protein format
CHEMBL2338811 OBDepict H 2 N O S N N N N HN S O O CH 3 IC50 = 370.0 nM 384.49 CS(=O)(=O)NCCN1CCN(c2ncnc3cc(C(N)=O)sc23)CC1 Homo sapiens CHEMBL2340697 assay format
CHEMBL3609646 OBDepict H 3 C N H H NH O O H 3 C H N H O H O NH 2 NH S CH 3 N H O CH 3 IC50 = 450.0 nM 528.72 CCCC[C@H](NC(C)=O)C(=O)N[C@@H](CCCCNC(C)=S)C(=O)N[C@@H](CCCCNC(C)=O)C(N)=O Homo sapiens CHEMBL3610048 single protein format
CHEMBL3889954 OBDepict H 3 C H NH O N H O H O N H H HN O H 2 N O HN S CH 3 IC50 = 470.0 nM 582.81 CCCC[C@@H]1NC(=O)CCCCCCC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](CCCCNC(C)=S)NC1=O Homo sapiens CHEMBL3861624 single protein format
CHEMBL3608441 OBDepict CH 3 NH H O NH 2 O N H H O HN H N H O CH 3 S H 3 C N H O H 3 C IC50 = 480.0 nM 514.69 CCC[C@H](NC(=O)[C@H](CCCCNC(C)=S)NC(=O)[C@H](CCCCNC(C)=O)NC(C)=O)C(N)=O Homo sapiens CHEMBL3610048 single protein format
CHEMBL3805835 OBDepict O N H N O N O NH 2 IC50 = 503.0 nM 424.46 NC(=O)c1cncc(OCc2cccc(NC(=O)c3ccc(-c4ccccn4)cc3)c2)c1 Homo sapiens CHEMBL3806942 assay format
CHEMBL3805538 OBDepict O N H N O HN N O NH 2 IC50 = 580.0 nM 431.5 NC(=O)c1cncc(OCc2cccc(NC(=O)c3ccc(N4CCNCC4)cc3)c2)c1 Homo sapiens CHEMBL3806942 assay format
CHEMBL2332054 OBDepict O NH CH 3 CH 3 CH 3 N N S N O H 2 N IC50 = 650.0 nM 375.5 CC(C)(C)C(=O)NCC1CCN(c2ncnc3cc(C(N)=O)sc23)CC1 Homo sapiens CHEMBL2340697 assay format
CHEMBL3806268 OBDepict O N H O N N O NH 2 IC50 = 697.0 nM 424.46 NC(=O)c1cncc(OCc2cccc(NC(=O)c3ccc(-c4ccncc4)cc3)c2)c1 Homo sapiens CHEMBL3806942 assay format
CHEMBL3805547 OBDepict O NH O N N O NH 2 IC50 = 723.0 nM 374.4 NC(=O)c1cncc(OCc2cccc(NC(=O)/C=C/c3ccncc3)c2)c1 Homo sapiens CHEMBL3806942 assay format
CHEMBL2332051 OBDepict CH 3 HN O N N N S N O H 2 N IC50 = 770.0 nM 348.43 CC(=O)NCCN1CCN(c2ncnc3cc(C(N)=O)sc23)CC1 Homo sapiens CHEMBL2340697 assay format
CHEMBL3805934 OBDepict O N H F O N N O NH 2 IC50 = 776.0 nM 442.45 NC(=O)c1cncc(OCc2cccc(NC(=O)c3ccc(-c4cccnc4)c(F)c3)c2)c1 Homo sapiens CHEMBL3806942 assay format
CHEMBL3609650 OBDepict H 3 C N H O H HN O H N H O H O H 2 N NH S CH 3 NH O H 3 C IC50 = 800.0 nM 576.76 CC(=O)NCCCC[C@H](NC(=O)[C@H](CCCCNC(C)=S)NC(=O)[C@H](CCc1ccccc1)NC(C)=O)C(N)=O Homo sapiens CHEMBL3610048 single protein format
CHEMBL3805950 OBDepict O NH N O N N O NH 2 IC50 = 827.0 nM 413.44 NC(=O)c1cncc(OCc2cccc(NC(=O)c3ccc(-n4ccnc4)cc3)c2)c1 Homo sapiens CHEMBL3806942 assay format
CHEMBL3805847 OBDepict O N H O N N O NH 2 IC50 = 829.0 nM 424.46 NC(=O)c1cncc(OCc2cccc(NC(=O)c3ccc(-c4cccnc4)cc3)c2)c1 Homo sapiens CHEMBL3806942 assay format
CHEMBL3804834 OBDepict O HN N O N N N O NH 2 IC50 = 843.0 nM 414.43 NC(=O)c1cncc(OCc2cccc(NC(=O)c3ccc(-n4cnnc4)cc3)c2)c1 Homo sapiens CHEMBL3806942 assay format
CHEMBL257991 OBDepict O NH N N N N S N HN IC50 = 850.0 nM 469.57 O=C(Nc1ccccc1-c1cn2c(CN3CCNCC3)csc2n1)c1cnc2ccccc2n1 Homo sapiens CHEMBL4021365 single protein format
CHEMBL3609648 OBDepict CH 3 N H H NH O O CH 3 H N H O H O NH 2 HN S CH 3 N H O H 3 C IC50 = 890.0 nM 500.67 CC[C@H](NC(C)=O)C(=O)N[C@@H](CCCCNC(C)=S)C(=O)N[C@@H](CCCCNC(C)=O)C(N)=O Homo sapiens CHEMBL3610048 single protein format
CHEMBL3805035 OBDepict O HN N O N O NH 2 IC50 = 910.0 nM 416.48 NC(=O)c1cncc(OCc2cccc(NC(=O)c3ccc(N4CCCC4)cc3)c2)c1 Homo sapiens CHEMBL3806942 assay format
CHEMBL3608440 OBDepict CH 3 N H H O H 2 N O NH H O N H H N H O CH 3 S CH 3 N H O H 3 C IC50 = 980.0 nM 528.72 CCCC[C@H](NC(=O)[C@H](CCCCNC(C)=S)NC(=O)[C@H](CCCCNC(C)=O)NC(C)=O)C(N)=O Homo sapiens CHEMBL3610048 single protein format
CHEMBL3609645 OBDepict CH 3 HN O NH H O NH 2 O N H H O HN H N H N H O CH 3 O CH 3 S H 3 C IC50 = 1000.0 nM 543.69 CC(=O)NCCCC[C@H](NC(=O)[C@H](CCCCNC(C)=S)NC(=O)[C@H](CNC(C)=O)NC(C)=O)C(N)=O Homo sapiens CHEMBL3610048 single protein format