SEQ2FUN

BioLiP

PDB CCD ID: LQZ
Number of entries in BioLiP: 3
Chemical formula: C14 H22 N2 O
InChI: InChI=1S/C14H22N2O/c1-5-16(6-2)10-13(17)15-14-11(3)8-7-9-12(14)4/h7-9H,5-6,10H2,1-4H3,(H,15,17)
InChIKey: NNJVILVZKWQKPM-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0CCN(CC)CC(=O)Nc1c(cccc1C)C
ACDLabs 11.02O=C(Nc1c(cccc1C)C)CN(CC)CC
CACTVS 3.352CCN(CC)CC(=O)Nc1c(C)cccc1C
Name:2-(diethylamino)-N-(2,6-dimethylphenyl)ethanamide
ChEMBL: CHEMBL79
DrugBank: DB00281
ZINC: ZINC000000020237
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).