BioLiP

PDB

BioLiP

PDB CCD ID:

EHQ

Number of entries in BioLiP:

Chemical formula:

C13 H12 N4 O

InChI:

InChI=1S/C13H12N4O/c1-8-12(9(2)18-17-8)13-11(7-15-16-13)10-3-5-14-6-4-10/h3-7H,1-2H3,(H,15,16)

InChIKey:

JYTPHNOPQGAILG-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	Cc1c(c(on1)C)c2c(c[nH]n2)c3ccncc3
CACTVS 3.385	Cc1onc(C)c1c2n[nH]cc2c3ccncc3

Name:

3,5-dimethyl-4-(4-pyridin-4-yl-1~{H}-pyrazol-3-yl)-1,2-oxazole

ChEMBL:

CHEMBL4749457

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).