BioLiP

PDB

BioLiP

PDB CCD ID:

6RP

Number of entries in BioLiP:

Chemical formula:

C8 H8 N4 O2

InChI:

InChI=1S/C8H8N4O2/c13-8(14)7(11-5-1-3-9-11)12-6-2-4-10-12/h1-7H,(H,13,14)

InChIKey:

NJDSSVBTTVUKHM-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	OC(=O)C(n1cccn1)n2cccn2
OpenEye OEToolkits 2.0.5	c1cnn(c1)C(C(=O)O)n2cccn2

Name:

bis(pyrzol-1-yl)acetate scorpionate;
BPZ

ZINC:

ZINC000008521102

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).