BioLiP

PDB

BioLiP

PDB CCD ID:

SJJ

Number of entries in BioLiP:

Chemical formula:

C17 H15 N3 O3

InChI:

InChI=1S/C17H15N3O3/c1-22-14-4-2-13(3-5-14)16-15(20-11-23-16)17(21)19-10-12-6-8-18-9-7-12/h2-9,11H,10H2,1H3,(H,19,21)

InChIKey:

NDXJIXWTFPGHAI-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.370	COc1ccc(cc1)c2ocnc2C(=O)NCc3ccncc3
OpenEye OEToolkits 1.7.6	COc1ccc(cc1)c2c(nco2)C(=O)NCc3ccncc3
ACDLabs 12.01	O=C(c2ncoc2c1ccc(OC)cc1)NCc3ccncc3

Name:

5-(4-METHOXYPHENYL)-N-(PYRIDIN-4-YLMETHYL)-1,3-OXAZOLE-4-CARBOXAMIDE

ChEMBL:

CHEMBL1957085

ZINC:

ZINC000073296412

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).