SEQ2FUN

BioLiP

PDB CCD ID: Q7R
Number of entries in BioLiP: 1
Chemical formula: C19 H22 N2 O
InChI: InChI=1S/C19H22N2O/c1-16(22)20-12-14-21(15-13-20)19(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-11,19H,12-15H2,1H3
InChIKey: XFKXNYYYOGBBGS-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385
OpenEye OEToolkits 2.0.7		CC(=O)N1CCN(CC1)C(c2ccccc2)c3ccccc3
ACDLabs 12.01CC(=O)N1CCN(CC1)C(c1ccccc1)c1ccccc1
Name:1-[4-(diphenylmethyl)piperazin-1-yl]ethan-1-one
ChEMBL: CHEMBL1388833
ZINC: ZINC000019823301
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).