BioLiP

PDB

BioLiP

PDB CCD ID:

9W5

Number of entries in BioLiP:

Chemical formula:

C11 H13 N3

InChI:

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

InChIKey:

WRHZMJSDCJXWDL-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	Cc1cc(n(n1)Cc2ccccc2)N
CACTVS 3.385	Cc1cc(N)n(Cc2ccccc2)n1

Name:

5-methyl-2-(phenylmethyl)pyrazol-3-amine

ZINC:

ZINC000000249581

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).