SEQ2FUN

BioLiP

PDB CCD ID: MB3
Number of entries in BioLiP: 15
Chemical formula: C5 H9 N O
InChI: InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3
InChIKey: SECXISVLQFMRJM-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370
OpenEye OEToolkits 1.7.0		CN1CCCC1=O
ACDLabs 12.01O=C1N(C)CCC1
Name:1-methylpyrrolidin-2-one
ChEMBL: CHEMBL12543
DrugBank: DB12521
ZINC: ZINC000003860621
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).