BioLiP

PDB

BioLiP

PDB CCD ID:

A1IIQ

Number of entries in BioLiP:

Chemical formula:

C7 H13 N3

InChI:

InChI=1S/C7H13N3/c1-4-6-5(2)9-10(3)7(6)8/h4,8H2,1-3H3

InChIKey:

GUFRXHLYBBQWIV-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CCc1c(C)nn(C)c1N
OpenEye OEToolkits 2.0.7	CCc1c(nn(c1N)C)C

Name:

4-ethyl-2,5-dimethyl-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).