BioLiP

PDB

BioLiP

PDB CCD ID:

A1ENB

Number of entries in BioLiP:

Chemical formula:

C10 H11 N3

InChI:

InChI=1S/C10H11N3/c11-10-4-2-9(3-5-10)8-13-7-1-6-12-13/h1-7H,8,11H2

InChIKey:

ISRYTHBRUSOVAB-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1cnn(c1)Cc2ccc(cc2)N
CACTVS 3.385	Nc1ccc(Cn2cccn2)cc1

Name:

4-(pyrazol-1-ylmethyl)aniline

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).