BioLiP

PDB

BioLiP

PDB CCD ID:

PYC

Number of entries in BioLiP:

Chemical formula:

C5 H4 N O2

InChI:

InChI=1S/C5H5NO2/c7-5(8)4-2-1-3-6-4/h1-3,6H,(H,7,8)/p-1

InChIKey:

WRHZVMBBRYBTKZ-UHFFFAOYSA-M

SMILES:

Software	SMILES
CACTVS 3.341	[O-]C(=O)c1[nH]ccc1
ACDLabs 10.04	[O-]C(=O)c1cccn1
OpenEye OEToolkits 1.5.0	c1cc([nH]c1)C(=O)[O-]

Name:

PYRROLE-2-CARBOXYLATE

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).