BioLiP

PDB

BioLiP

PDB CCD ID:

FPY

Number of entries in BioLiP:

Chemical formula:

C4 H5 F N2 O2

InChI:

InChI=1S/C4H5FN2O2/c5-2-1-6-4(9)7-3(2)8/h1,3,8H,(H2,6,7,9)/t3-/m0/s1

InChIKey:

PRVUBDAKZJCBTI-VKHMYHEASA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	C1=C([C@@H](NC(=O)N1)O)F
OpenEye OEToolkits 1.5.0	C1=C(C(NC(=O)N1)O)F
CACTVS 3.341	O[C@@H]1NC(=O)NC=C1F
CACTVS 3.341	O[CH]1NC(=O)NC=C1F
ACDLabs 10.04	FC1=CNC(=O)NC1O

Name:

(4S)-5-FLUORO-4-HYDROXY-3,4-DIHYDROPYRIMIDIN-2(1H)-ONE;
5-FLUORO-4-(S)-HYDROXY-3,4-DIHYDROPYRIMIDINE

DrugBank:

DB04135

ZINC:

ZINC000005834564

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).