SEQ2FUN

BioLiP

PDB CCD ID: 4MP
Number of entries in BioLiP: 3
Chemical formula: C12 H13 N O3
InChI: InChI=1S/C12H13NO3/c1-16-10-6-4-9(5-7-10)12(15)13-8-2-3-11(13)14/h4-7H,2-3,8H2,1H3
InChIKey: ZXNRTKGTQJPIJK-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04O=C2N(C(=O)c1ccc(OC)cc1)CCC2
CACTVS 3.341
OpenEye OEToolkits 1.5.0		COc1ccc(cc1)C(=O)N2CCCC2=O
Name:1-(4-METHOXYBENZOYL)-2-PYRROLIDINONE;
ANIRACETAM;
1-P-ANISOYL-2-PYRROLIDINONE
ChEMBL: CHEMBL36994
DrugBank: DB04599
ZINC: ZINC000000015951
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).