BioLiP

PDB

BioLiP

PDB CCD ID:

AW7

Number of entries in BioLiP:

Chemical formula:

C13 H10 N4 O

InChI:

InChI=1S/C13H10N4O/c1-7-14-13(15-8-1)18-11-4-2-10(3-5-11)12-6-9-16-17-12/h1-9H,(H,16,17)

InChIKey:

DUEUESIXAVJTRZ-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	[nH]1ccc(n1)c2ccc(Oc3ncccn3)cc2
OpenEye OEToolkits 2.0.6	c1cnc(nc1)Oc2ccc(cc2)c3cc[nH]n3

Name:

2-[4-(1~{H}-pyrazol-3-yl)phenoxy]pyrimidine

ZINC:

ZINC000000170266

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).