BioLiP

PDB

BioLiP

PDB CCD ID:

7KW

Number of entries in BioLiP:

Chemical formula:

C19 H15 N5

InChI:

InChI=1S/C19H15N5/c1-3-7-14(8-4-1)18-16(13-21-24-18)17-11-12-20-19(23-17)22-15-9-5-2-6-10-15/h1-13H,(H,21,24)(H,20,22,23)

InChIKey:

GHIDSWLDHRXNQM-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	[nH]1cc(c2ccnc(Nc3ccccc3)n2)c(n1)c4ccccc4
ACDLabs 12.01	n2c(c1ccccc1)c(cn2)c3nc(ncc3)Nc4ccccc4
OpenEye OEToolkits 1.9.2	c1ccc(cc1)c2c(c[nH]n2)c3ccnc(n3)Nc4ccccc4

Name:

N-phenyl-4-(5-phenyl-1H-pyrazol-4-yl)pyrimidin-2-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).