SEQ2FUN

BioLiP

PDB CCD ID: A1ANC
Number of entries in BioLiP: 10
Chemical formula: C11 H16 N2 O
InChI: InChI=1S/C11H16N2O/c1-3-13(4-2)11(14)9-5-7-10(12)8-6-9/h5-8H,3-4,12H2,1-2H3
InChIKey: RNVOPVJRSRXPSX-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CCN(CC)C(=O)c1ccc(N)cc1
OpenEye OEToolkits 2.0.7CCN(CC)C(=O)c1ccc(cc1)N
ACDLabs 12.01O=C(c1ccc(N)cc1)N(CC)CC
Name:4-amino-N,N-diethylbenzamide
ChEMBL: CHEMBL1896630
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).