BioLiP

PDB

BioLiP

PDB CCD ID:

X6W

Number of entries in BioLiP:

Chemical formula:

C12 H15 N3

InChI:

InChI=1S/C12H15N3/c1-13-9-11-8-12(14-15(11)2)10-6-4-3-5-7-10/h3-8,13H,9H2,1-2H3

InChIKey:

QFUHILGXHQHXHY-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385 OpenEye OEToolkits 1.7.6	CNCc1cc(nn1C)c2ccccc2
ACDLabs 12.01	n2c(c1ccccc1)cc(n2C)CNC

Name:

methyl-3-methyl-5-phenyl-2H-pyrazol-4-methyl amine

ZINC:

ZINC000012370327

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).