BioLiP

PDB

BioLiP

PDB CCD ID:

LV1

Number of entries in BioLiP:

Chemical formula:

C13 H11 F N2 O2

InChI:

InChI=1S/C13H11FN2O2/c14-9-4-6-10(7-5-9)15-13(18)16-11-2-1-3-12(17)8-11/h1-8,17H,(H2,15,16,18)

InChIKey:

BASVXNNPMBRKEP-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	c1cc(cc(c1)O)NC(=O)Nc2ccc(cc2)F
CACTVS 3.385	Oc1cccc(NC(=O)Nc2ccc(F)cc2)c1

Name:

1-(4-fluorophenyl)-3-(3-hydroxyphenyl)urea

ZINC:

ZINC000000399805

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).