BioLiP

PDB

BioLiP

PDB CCD ID:

7UE

Number of entries in BioLiP:

Chemical formula:

C10 H8 N2 O2

InChI:

InChI=1S/C10H8N2O2/c13-10(14)8-5-9(7-11-6-8)12-3-1-2-4-12/h1-7H,(H,13,14)

InChIKey:

MBHJQDUXANKYCO-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1ccn(c1)c2cc(cnc2)C(=O)O
CACTVS 3.385	OC(=O)c1cncc(c1)n2cccc2

Name:

5-pyrrol-1-ylpyridine-3-carboxylic acid

ZINC:

ZINC000002456126

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).