BioLiP

PDB

BioLiP

PDB CCD ID:

I2X

Number of entries in BioLiP:

Chemical formula:

C5 H4 F2 N2 O

InChI:

InChI=1S/C5H4F2N2O/c6-5(7)3-1-4(10)9-2-8-3/h1-2,5H,(H,8,9,10)

InChIKey:

CRXWFHCGXRAVCL-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01 CACTVS 3.385	Oc1cc(ncn1)C(F)F
OpenEye OEToolkits 2.0.7	c1c(ncnc1O)C(F)F

Name:

6-(difluoromethyl)pyrimidin-4-ol;
ISOTHIAZOLIDANONE ANALOGUE

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).