SEQ2FUN

BioLiP

PDB CCD ID: EVU
Number of entries in BioLiP: 10
Chemical formula: C17 H19 N3 O
InChI: InChI=1S/C17H19N3O/c18-11-13-5-7-14(8-6-13)15-3-1-2-4-16(15)20-10-9-19-17(21)12-20/h1-8H,9-12,18H2,(H,19,21)
InChIKey: PENSDGIWXYUOBB-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccc(c(c1)c2ccc(cc2)CN)N3CCNC(=O)C3
CACTVS 3.385NCc1ccc(cc1)c2ccccc2N3CCNC(=O)C3
Name:4-[2-[4-(aminomethyl)phenyl]phenyl]piperazin-2-one
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).