BioLiP

PDB

BioLiP

PDB CCD ID:

O00

Number of entries in BioLiP:

Chemical formula:

C19 H14 F2 N2 O2

InChI:

InChI=1S/C19H14F2N2O2/c1-23-17(8-7-12-5-3-2-4-6-12)22-16(19(23)25)11-13-9-14(20)18(24)15(21)10-13/h2-11,24H,1H3/b8-7+,16-11-

InChIKey:

QXBNXTPHNSRTRU-UQQCGOLSSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CN1C(=N/C(=C\c2cc(c(c(c2)F)O)F)/C1=O)/C=C/c3ccccc3
CACTVS 3.385	CN1C(=O)C(=Cc2cc(F)c(O)c(F)c2)N=C1C=Cc3ccccc3
OpenEye OEToolkits 2.0.7	CN1C(=NC(=Cc2cc(c(c(c2)F)O)F)C1=O)C=Cc3ccccc3
CACTVS 3.385	CN1C(=O)/C(=C/c2cc(F)c(O)c(F)c2)N=C1\C=C\c3ccccc3

Name:

(5~{Z})-5-[[3,5-bis(fluoranyl)-4-oxidanyl-phenyl]methylidene]-3-methyl-2-[(~{E})-2-phenylethenyl]imidazol-4-one

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).