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BioLiP

PDB CCD ID: 3ZV
Number of entries in BioLiP: 4
Chemical formula: C16 H13 N O3
InChI: InChI=1S/C16H13NO3/c1-19-11-5-3-10(4-6-11)15-16(18)13-9-12(20-2)7-8-14(13)17-15/h3-9H,1-2H3
InChIKey: VCLRIWYAOAOICS-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O=C1c3cc(OC)ccc3N=C1c2ccc(OC)cc2
CACTVS 3.385COc1ccc(cc1)C2=Nc3ccc(OC)cc3C2=O
OpenEye OEToolkits 1.9.2COc1ccc(cc1)C2=Nc3ccc(cc3C2=O)OC
Name:5-methoxy-2-(4-methoxyphenyl)-3H-indol-3-one
ChEMBL: CHEMBL3238540
ZINC: ZINC000169308442
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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