BioLiP

PDB

BioLiP

PDB CCD ID:

5J2

Number of entries in BioLiP:

Chemical formula:

C19 H14 F N O3

InChI:

InChI=1S/C19H14FNO3/c20-13-3-5-14(6-4-13)21-19(12-1-7-15(22)8-2-12)17-10-9-16(23)11-18(17)24/h1-11,22-24H/b21-19+

InChIKey:

KZWDEXMYVJJSFV-XUTLUUPISA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.9.2	c1cc(ccc1/C(=N\c2ccc(cc2)F)/c3ccc(cc3O)O)O
CACTVS 3.385	Oc1ccc(cc1)C(=Nc2ccc(F)cc2)c3ccc(O)cc3O
ACDLabs 12.01	Oc1ccc(cc1)\C(=N/c2ccc(F)cc2)c3c(cc(cc3)O)O
OpenEye OEToolkits 1.9.2	c1cc(ccc1C(=Nc2ccc(cc2)F)c3ccc(cc3O)O)O

Name:

4-[(E)-[(4-fluorophenyl)imino](4-hydroxyphenyl)methyl]benzene-1,3-diol

ChEMBL:

CHEMBL3234634

ZINC:

ZINC000169310744

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).