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BioLiP

PDB CCD ID: OJD
Number of entries in BioLiP: 5
Chemical formula: C12 H15 N O
InChI: InChI=1S/C12H15NO/c14-12-8-11(9-13-12)7-6-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H,13,14)/t11-/m1/s1
InChIKey: HSOKCKRDVRKPGT-LLVKDONJSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385O=C1C[C@@H](CCc2ccccc2)CN1
OpenEye OEToolkits 1.7.6c1ccc(cc1)CC[C@@H]2CC(=O)NC2
CACTVS 3.385O=C1C[CH](CCc2ccccc2)CN1
OpenEye OEToolkits 1.7.6c1ccc(cc1)CCC2CC(=O)NC2
ACDLabs 12.01O=C2NCC(CCc1ccccc1)C2
Name:(4R)-4-(2-phenylethyl)pyrrolidin-2-one
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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