BioLiP

PDB

BioLiP

PDB CCD ID:

IKY

Number of entries in BioLiP:

Chemical formula:

C11 H7 F3 N2 O3

InChI:

InChI=1S/C11H7F3N2O3/c12-11(13,14)7-4-2-1-3-6(7)10-15-8(5-19-10)9(17)16-18/h1-5,18H,(H,16,17)

InChIKey:

CRHXDKPGVAVHNT-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.2	c1ccc(c(c1)c2nc(co2)C(=O)NO)C(F)(F)F
ACDLabs 12.01	FC(F)(F)c1ccccc1c2nc(co2)C(=O)NO
CACTVS 3.370	ONC(=O)c1coc(n1)c2ccccc2C(F)(F)F

Name:

N-HYDROXY-2-[2-(TRIFLUOROMETHYL)PHENYL]-1,3-OXAZOLE-4-CARBOXAMIDE

ZINC:

ZINC000095920811

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).