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BioLiP Library

PDB CCD ID: 84N
Number of entries in BioLiP: 0
Chemical formula: C14 H14 N2 O2
InChI: InChI=1S/C14H14N2O2/c1-18-13-7-14(17)16-12(13)6-9-8-15-11-5-3-2-4-10(9)11/h2-5,7-8,12,15H,6H2,1H3,(H,16,17)/t12-/m0/s1
InChIKey: FDYXNJYFJLRJDR-LBPRGKRZSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385COC1=CC(=O)N[CH]1Cc2c[nH]c3ccccc23
CACTVS 3.385COC1=CC(=O)N[C@H]1Cc2c[nH]c3ccccc23
OpenEye OEToolkits 2.0.7COC1=CC(=O)NC1Cc2c[nH]c3c2cccc3
OpenEye OEToolkits 2.0.7COC1=CC(=O)N[C@H]1Cc2c[nH]c3c2cccc3
ACDLabs 12.01O=C1C=C(OC)C(Cc2c[NH]c3ccccc23)N1
Name:(5S)-5-[(1H-indol-3-yl)methyl]-4-methoxy-1,5-dihydro-2H-pyrrol-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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