BioLiP

PDB

BioLiP

PDB CCD ID:

A1IJT

Number of entries in BioLiP:

Chemical formula:

C8 H8 N2 O

InChI:

InChI=1S/C8H8N2O/c1-10-5-6-3-2-4-9-7(6)8(10)11/h2-4H,5H2,1H3

InChIKey:

IJZWYCRKWHTZKH-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385 OpenEye OEToolkits 2.0.7	CN1Cc2cccnc2C1=O

Name:

6-methyl-5~{H}-pyrrolo[3,4-b]pyridin-7-one

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).