SEQ2FUN

BioLiP

PDB CCD ID: H4Y
Number of entries in BioLiP: 1
Chemical formula: C17 H17 N O2
InChI: InChI=1S/C17H17NO2/c1-20-14-10-8-13(9-11-14)15-5-2-3-6-16(15)18-12-4-7-17(18)19/h2-3,5-6,8-11H,4,7,12H2,1H3
InChIKey: GLHCKAVYQJNFHF-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385
OpenEye OEToolkits 2.0.6		COc1ccc(cc1)c2ccccc2N3CCCC3=O
ACDLabs 12.01N1(C(CCC1)=O)c3c(c2ccc(cc2)OC)cccc3
Name:1-(4'-methoxy[1,1'-biphenyl]-2-yl)pyrrolidin-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).