SEQ2FUN

BioLiP

PDB CCD ID: H31
Number of entries in BioLiP: 1
Chemical formula: C17 H17 N O
InChI: InChI=1S/C17H17NO/c1-13-8-10-14(11-9-13)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: YEVWXVKNDBSTQP-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01c1(ccc(cc1)C)c3c(N2CCCC2=O)cccc3
CACTVS 3.385
OpenEye OEToolkits 2.0.6		Cc1ccc(cc1)c2ccccc2N3CCCC3=O
Name:1-(4'-methyl[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).