BioLiP

PDB

BioLiP

PDB CCD ID:

A1EDC

Number of entries in BioLiP:

Chemical formula:

C8 H6 N2 O

InChI:

InChI=1S/C8H6N2O/c11-5-6-1-3-9-8-7(6)2-4-10-8/h1-5H,(H,9,10)

InChIKey:

IEPOMBHPYZJZNR-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1c[nH]c2c1c(ccn2)C=O
CACTVS 3.385	O=Cc1ccnc2[nH]ccc12

Name:

1~{H}-pyrrolo[2,3-b]pyridine-4-carbaldehyde

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).