BioLiP

PDB

BioLiP

PDB CCD ID:

T4R

Number of entries in BioLiP:

Chemical formula:

C3 H3 I N2

InChI:

InChI=1S/C3H3IN2/c4-3-1-2-5-6-3/h1-2H,(H,5,6)

InChIKey:

RUKDVLFJSMVBLV-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1cn[nH]c1I
ACDLabs 12.01	Ic1ccn[NH]1
CACTVS 3.385	Ic1[nH]ncc1

Name:

5-iodo-1H-pyrazole

ZINC:

ZINC000089224608

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).