BioLiP

PDB

BioLiP

PDB CCD ID:

FSK

Number of entries in BioLiP:

Chemical formula:

C10 H13 F N2 O3

InChI:

InChI=1S/C10H13FN2O3/c1-6-8(3-7(4-11)5-14)13(2)10(16)12-9(6)15/h3,14H,4-5H2,1-2H3,(H,12,15,16)/b7-3+

InChIKey:

NEZZLCCSEJKABY-XVNBXDOJSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.6	CC1=C(N(C(=O)NC1=O)C)C=C(CO)CF
CACTVS 3.370	CN1C(=O)NC(=O)C(=C1\C=C(CO)/CF)C
CACTVS 3.370	CN1C(=O)NC(=O)C(=C1C=C(CO)CF)C
OpenEye OEToolkits 1.7.6	CC1=C(N(C(=O)NC1=O)C)/C=C(/CO)\CF
ACDLabs 12.01	O=C1C(=C(\C=C(/CF)CO)N(C(=O)N1)C)C

Name:

6-[(1Z)-3-fluoro-2-(hydroxymethyl)prop-1-en-1-yl]-1,5-dimethylpyrimidine-2,4(1H,3H)-dione

ZINC:

ZINC000098208901

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).