BioLiP

PDB

BioLiP

PDB CCD ID:

A1IHU

Number of entries in BioLiP:

Chemical formula:

C4 H6 Br N3

InChI:

InChI=1S/C4H6BrN3/c1-8-4(6)3(5)2-7-8/h2H,6H2,1H3

InChIKey:

ODFDZOQJRPDQDF-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	Cn1c(c(cn1)Br)N
CACTVS 3.385	Cn1ncc(Br)c1N

Name:

4-bromanyl-2-methyl-pyrazol-3-amine

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).