BioLiP

PDB

BioLiP

PDB CCD ID:

8PQ

Number of entries in BioLiP:

Chemical formula:

C5 H7 Br N2

InChI:

InChI=1S/C5H7BrN2/c1-3-5(6)4(2)8-7-3/h1-2H3,(H,7,8)

InChIKey:

RISOHYOEPYWKOB-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	Cc1c(c(n[nH]1)C)Br
CACTVS 3.385	Cc1[nH]nc(C)c1Br

Name:

4-bromanyl-3,5-dimethyl-1~{H}-pyrazole

ZINC:

ZINC000000035824

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).