BioLiP

PDB

BioLiP

PDB CCD ID:

YJX

Number of entries in BioLiP:

Chemical formula:

C18 H14 N4 O

InChI:

InChI=1S/C18H14N4O/c23-18-12-5-2-1-4-11(12)16-13(6-3-9-22(16)18)17-20-14-7-8-19-10-15(14)21-17/h1-2,4-5,7-8,10H,3,6,9H2,(H,20,21)

InChIKey:

OBSCRMJWHBYWSE-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	O=C2c1ccccc1C=5N2CCCC=5c4nc3ccncc3n4
OpenEye OEToolkits 1.7.2	c1ccc2c(c1)C3=C(CCCN3C2=O)c4[nH]c5cnccc5n4
CACTVS 3.370	O=C1N2CCCC(=C2c3ccccc13)c4[nH]c5cnccc5n4

Name:

1-(3H-imidazo[4,5-c]pyridin-2-yl)-3,4-dihydropyrido[2,1-a]isoindol-6(2H)-one

ChEMBL:

CHEMBL1917724

ZINC:

ZINC000073196872

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).