BioLiP

PDB

BioLiP

PDB CCD ID:

A1AM3

Number of entries in BioLiP:

Chemical formula:

C11 H13 N3

InChI:

InChI=1S/C11H13N3/c1-14-8-7-11(13-14)12-9-10-5-3-2-4-6-10/h2-8H,9H2,1H3,(H,12,13)

InChIKey:

SNURKZHBZPONJX-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01 CACTVS 3.385	Cn1ccc(NCc2ccccc2)n1
OpenEye OEToolkits 2.0.7	Cn1ccc(n1)NCc2ccccc2

Name:

N-benzyl-1-methyl-1H-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).