BioLiP

PDB

BioLiP

PDB CCD ID:

UUM

Number of entries in BioLiP:

Chemical formula:

C9 H10 N4 O2

InChI:

InChI=1S/C9H10N4O2/c1-6-3-8(12-15-6)9(14)11-7-4-10-13(2)5-7/h3-5H,1-2H3,(H,11,14)

InChIKey:

NZGVYOGTUDYUSZ-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	Cc1cc(no1)C(=O)Nc2cnn(c2)C
CACTVS 3.385	Cn1cc(NC(=O)c2cc(C)on2)cn1
ACDLabs 12.01	N(c1cn(C)nc1)C(=O)c2noc(C)c2

Name:

5-methyl-N-(1-methyl-1H-pyrazol-4-yl)-1,2-oxazole-3-carboxamide

ZINC:

ZINC000042752802

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).