SEQ2FUN

BioLiP

PDB CCD ID: WWR
Number of entries in BioLiP: 1
Chemical formula: C10 H10 N2 O
InChI: InChI=1S/C10H10N2O/c13-10-11-6-7-12(10)8-9-4-2-1-3-5-9/h1-7H,8H2,(H,11,13)
InChIKey: MDHGKJCKJNPZKA-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccc(cc1)CN2C=CNC2=O
CACTVS 3.385O=C1NC=CN1Cc2ccccc2
Name:3-(phenylmethyl)-1~{H}-imidazol-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).