SEQ2FUN

BioLiP

PDB CCD ID: D3L
Number of entries in BioLiP: 2
Chemical formula: C16 H13 N O2
InChI: InChI=1S/C16H13NO2/c1-19-13-7-8-14-12(9-13)10-15(17-14)16(18)11-5-3-2-4-6-11/h2-10,17H,1H3
InChIKey: ICMIJSRDISNKOC-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385COc1ccc2[nH]c(cc2c1)C(=O)c3ccccc3
OpenEye OEToolkits 2.0.7COc1ccc2c(c1)cc([nH]2)C(=O)c3ccccc3
Name:(5-methoxy-1H-indol-2-yl)-phenyl-methanone
ChEMBL: CHEMBL140220
ZINC: ZINC000002526466
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia 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).