BioLiP

PDB

BioLiP

PDB CCD ID:

A1ISY

Number of entries in BioLiP:

Chemical formula:

C10 H11 N3

InChI:

InChI=1S/C10H11N3/c1-7-9(10(11)13-12-7)8-5-3-2-4-6-8/h2-6H,1H3,(H3,11,12,13)

InChIKey:

UMDNRKCXSUJMCY-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	Cc1c(c(n[nH]1)N)c2ccccc2
CACTVS 3.385	Cc1[nH]nc(N)c1c2ccccc2

Name:

5-methyl-4-phenyl-1H-pyrazol-3-amine

ChEMBL:

CHEMBL1609052

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).