BioLiP

PDB

BioLiP

PDB CCD ID:

ZMI

Number of entries in BioLiP:

Chemical formula:

C11 H10 F N3 O2

InChI:

InChI=1S/C11H10FN3O2/c1-7-6-10(15-17-7)11(16)14-13-9-5-3-2-4-8(9)12/h2-6,13H,1H3,(H,14,16)

InChIKey:

VNJQNKZHKFEHID-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	Cc1cc(no1)C(=O)NNc2ccccc2F
CACTVS 3.385	Cc1onc(c1)C(=O)NNc2ccccc2F

Name:

~{N}'-(2-fluorophenyl)-5-methyl-1,2-oxazole-3-carbohydrazide

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).