SEQ2FUN

BioLiP

PDB CCD ID: YQT
Number of entries in BioLiP: 1
Chemical formula: C16 H11 N3
InChI: InChI=1S/C16H11N3/c1-4-17-5-2-11(1)15-10-19-16-8-13-9-18-6-3-12(13)7-14(15)16/h1-10,19H
InChIKey: DFIYULDPYGDCHT-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385[nH]1cc(c2ccncc2)c3cc4ccncc4cc13
OpenEye OEToolkits 2.0.7c1cnccc1c2c[nH]c3c2cc4ccncc4c3
Name:3-pyridin-4-yl-1~{H}-pyrrolo[3,2-g]isoquinoline
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).