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BioLiP

PDB CCD ID: RLG
Number of entries in BioLiP: 1
Chemical formula: C11 H13 N O
InChI: InChI=1S/C11H13NO/c1-12-8-10(7-11(12)13)9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3/t10-/m0/s1
InChIKey: NJSMSOSBMMZSSB-JTQLQIEISA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CN1C[CH](CC1=O)c2ccccc2
CACTVS 3.385
OpenEye OEToolkits 2.0.7		CN1C[C@H](CC1=O)c2ccccc2
ACDLabs 12.01
OpenEye OEToolkits 2.0.7		CN1CC(CC1=O)c2ccccc2
Name:(4R)-1-methyl-4-phenylpyrrolidin-2-one
ChEMBL: CHEMBL4778271
ZINC: ZINC000071773439
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L 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).

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