SEQ2FUN

BioLiP

PDB CCD ID: SU5
Number of entries in BioLiP: 2
Chemical formula: C14 H10 N2 O
InChI: InChI=1S/C14H10N2O/c17-14(11-5-3-7-15-9-11)13-8-10-4-1-2-6-12(10)16-13/h1-9,16H
InChIKey: ZCHZHQMOGWAOGA-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccc2c(c1)cc([nH]2)C(=O)c3cccnc3
CACTVS 3.385O=C(c1[nH]c2ccccc2c1)c3cccnc3
Name:1~{H}-indol-2-yl(pyridin-3-yl)methanone
ChEMBL: CHEMBL1550931
ZINC: ZINC000000387465
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).