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BioLiP

PDB CCD ID: U5H
Number of entries in BioLiP: 1
Chemical formula: C10 H12 N2 O
InChI: InChI=1S/C10H12N2O/c1-12-9(4-5-10(12)13)8-3-2-6-11-7-8/h2-3,6-7,9H,4-5H2,1H3/t9-/m0/s1
InChIKey: UIKROCXWUNQSPJ-VIFPVBQESA-N
SMILES:
SoftwareSMILES
CACTVS 3.385
OpenEye OEToolkits 2.0.7		CN1[C@@H](CCC1=O)c2cccnc2
OpenEye OEToolkits 2.0.7CN1C(CCC1=O)c2cccnc2
CACTVS 3.385CN1[CH](CCC1=O)c2cccnc2
Name:(5~{S})-1-methyl-5-pyridin-3-yl-pyrrolidin-2-one
ChEMBL: CHEMBL578211
ZINC: ZINC000000402766
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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