BioLiP

PDB

BioLiP

PDB CCD ID:

W40

Number of entries in BioLiP:

Chemical formula:

C18 H14 F2 N2 O2

InChI:

InChI=1S/C18H14F2N2O2/c1-11(12-5-3-2-4-6-12)22-10-16(17(23)21-18(22)24)13-7-14(19)9-15(20)8-13/h2-11H,1H3,(H,21,23,24)/t11-/m0/s1

InChIKey:

PDFBJEYJDVRNBX-NSHDSACASA-N

SMILES:

Software	SMILES
CACTVS 3.385	C[C@H](N1C=C(C(=O)NC1=O)c2cc(F)cc(F)c2)c3ccccc3
OpenEye OEToolkits 2.0.7	CC(c1ccccc1)N2C=C(C(=O)NC2=O)c3cc(cc(c3)F)F
CACTVS 3.385	C[CH](N1C=C(C(=O)NC1=O)c2cc(F)cc(F)c2)c3ccccc3
OpenEye OEToolkits 2.0.7	C[C@@H](c1ccccc1)N2C=C(C(=O)NC2=O)c3cc(cc(c3)F)F

Name:

5-[3,5-bis(fluoranyl)phenyl]-1-[(1S)-1-phenylethyl]pyrimidine-2,4-dione

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).