Reaction Details Report a problem with these data
Target
NAD-dependent protein deacetylase sirtuin-1
Ligand
BDBM50193048
Substrate
n/a
Meas. Tech.
ChEMBL_1614242 (CHEMBL3856311)
EC50
<1000±n/a nM
Citation
 Kumar, A; Chauhan, S How much successful are the medicinal chemists in modulation of SIRT1: A critical review. Eur J Med Chem 119:45-69 (2016) [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:
BDBM50193048
Synonyms:
CHEMBL3934191
Type:
Small organic molecule
Emp. Form.:
C24H25N5O2
Mol. Mass.:
415.4876
SMILES:
CCc1ccccc1-n1c(N)c(C(=O)NCC2CCCO2)c2nc3ccccc3nc12 |(6.08,-32,;7.15,-33.1,;8.65,-32.73,;9.07,-31.25,;10.57,-30.87,;11.64,-31.98,;11.21,-33.45,;9.72,-33.83,;9.3,-35.31,;10.25,-36.51,;11.79,-36.46,;9.38,-37.79,;9.91,-39.24,;8.93,-40.42,;11.43,-39.5,;12.42,-38.33,;13.94,-38.59,;15.05,-37.51,;16.41,-38.24,;16.14,-39.76,;14.62,-39.97,;7.91,-37.37,;6.59,-38.19,;5.23,-37.46,;3.93,-38.27,;2.58,-37.55,;2.51,-36,;3.82,-35.2,;5.18,-35.92,;6.5,-35.11,;7.85,-35.83,)|
Structure:
Search PDB for entries with ligand similarity: