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BioLiP

PDB CCD ID: UAO
Number of entries in BioLiP: 1
Chemical formula: C12 H12 N2 O
InChI: InChI=1S/C12H12N2O/c15-12-6-5-10(14-12)11-7-8-3-1-2-4-9(8)13-11/h1-4,7,10,13H,5-6H2,(H,14,15)/t10-/m0/s1
InChIKey: SNOGMRAGDZEUJL-JTQLQIEISA-N
SMILES:
SoftwareSMILES
CACTVS 3.385O=C1CC[C@H](N1)c2[nH]c3ccccc3c2
OpenEye OEToolkits 2.0.7c1ccc2c(c1)cc([nH]2)C3CCC(=O)N3
OpenEye OEToolkits 2.0.7c1ccc2c(c1)cc([nH]2)[C@@H]3CCC(=O)N3
CACTVS 3.385O=C1CC[CH](N1)c2[nH]c3ccccc3c2
Name:(5~{S})-5-(1~{H}-indol-2-yl)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)(download the PDF file).
  • 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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