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Target
NAD-dependent protein deacetylase sirtuin-1
Ligand
BDBM50400325
Substrate
n/a
Meas. Tech.
ChEMBL_876636 (CHEMBL2182361)
IC50
40300±n/a nM
Citation
 Rotili, D; Tarantino, D; Nebbioso, A; Paolini, C; Huidobro, C; Lara, E; Mellini, P; Lenoci, A; Pezzi, R; Botta, G; Lahtela-Kakkonen, M; Poso, A; Steinkühler, C; Gallinari, P; De Maria, R; Fraga, M; Esteller, M; Altucci, L; Mai, A Discovery of salermide-related sirtuin inhibitors: binding mode studies and antiproliferative effects in cancer cells including cancer stem cells. J Med Chem 55:10937-47 (2012) [PubMed]  Article
Target
Name:
NAD-dependent protein deacetylase sirtuin-1
Synonyms:
NAD-Dependent Deacetylase Sirtuin-1 | NAD-dependent deacetylase sirtuin 1 | NAD-dependent protein deacetylase sirtuin-1 (SIRT1) | SIR1_HUMAN | SIR2-like protein 1 | SIR2L1 | SIRT1 | Sirtuin 1 (SIRT1) | Sirtuin-1 (SIRT1) | hSIR2
Type:
Developmental protein; hydrolase
Mol. Mass.:
81626.66
Organism:
Homo sapiens (Human)
Description:
n/a
Residue:
747
Sequence:
MADEAALALQPGGSPSAAGADREAASSPAGEPLRKRPRRDGPGLERSPGEPGGAAPEREVPAAARGCPGAAAAALWREAEAEAAAAGGEQEAQATAAAGEGDNGPGLQGPSREPPLADNLYDEDDDDEGEEEEEAAAAAIGYRDNLLFGDEIITNGFHSCESDEEDRASHASSSDWTPRPRIGPYTFVQQHLMIGTDPRTILKDLLPETIPPPELDDMTLWQIVINILSEPPKRKKRKDINTIEDAVKLLQECKKIIVLTGAGVSVSCGIPDFRSRDGIYARLAVDFPDLPDPQAMFDIEYFRKDPRPFFKFAKEIYPGQFQPSLCHKFIALSDKEGKLLRNYTQNIDTLEQVAGIQRIIQCHGSFATASCLICKYKVDCEAVRGDIFNQVVPRCPRCPADEPLAIMKPEIVFFGENLPEQFHRAMKYDKDEVDLLIVIGSSLKVRPVALIPSSIPHEVPQILINREPLPHLHFDVELLGDCDVIINELCHRLGGEYAKLCCNPVKLSEITEKPPRTQKELAYLSELPPTPLHVSEDSSSPERTSPPDSSVIVTLLDQAAKSNDDLDVSESKGCMEEKPQEVQTSRNVESIAEQMENPDLKNVGSSTGEKNERTSVAGTVRKCWPNRVAKEQISRRLDGNQYLFLPPNRYIFHGAEVYSDSEDDVLSSSSCGSNSDSGTCQSPSLEEPMEDESEIEEFYNGLEDEPDVPERAGGAGFGTDGDDQEAINEAISVKQEVTDMNYPSNKS
  
Inhibitor
Name:
BDBM50400325
Synonyms:
CHEMBL2181506
Type:
Small organic molecule
Emp. Form.:
C26H23NO2S
Mol. Mass.:
413.531
SMILES:
CC(CS(=O)c1ccccc1N=Cc1c(O)ccc2ccccc12)c1ccccc1 |w:11.11|
Structure:
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