Molecule Details
InChIKeyHEMQTRCOHWZDFV-ZRBKABKMSA-N
Compound Name(2S)-2-[[(2S,3S)-2-[[(2S)-2-acetamido-5-(diaminomethylideneamino)pentanoyl]amino]-3-methylpentanoyl]amino]-N-[(2S)-1-[[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-6-(tetradecanethioylamino)hexanamide
Canonical SMILESCCCCCCCCCCCCCC(=S)NCCCC[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(C)=O)[C@@H](C)CC)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)4
Pfam Stratification Homologous
Avg pChEMBL6.98
SourceChEMBL;BindingDB
2D Structure
2D structure
Activity Profile
Target Activities (4)
Target Gene Organism Category Pfam pChEMBL Type Source
Q8IXJ6 SIRT2 Homo sapiens Human PF02146 7.2 IC50 ChEMBL;BindingDB
Q9NTG7 SIRT3 Homo sapiens Human PF02146 7.1 IC50 ChEMBL;BindingDB
Q96EB6 SIRT1 Homo sapiens Human PF02146 7.0 IC50 ChEMBL;BindingDB
Q8N6T7 SIRT6 Homo sapiens Human PF02146 6.6 IC50 ChEMBL;BindingDB