BioLiP

PDB

BioLiP

PDB CCD ID:

I6A

Number of entries in BioLiP:

Chemical formula:

C14 H12 N2 O

InChI:

InChI=1S/C14H12N2O/c1-17-14-8-11-4-7-16-13(11)9-12(14)10-2-5-15-6-3-10/h2-9,16H,1H3

InChIKey:

CCGSQZWVGGCGET-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385 OpenEye OEToolkits 2.0.7	COc1cc2cc[nH]c2cc1c3ccncc3

Name:

5-methoxy-6-pyridin-4-yl-1~{H}-indole

ChEMBL:

CHEMBL5080083

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).