BioLiP

PDB

BioLiP

PDB CCD ID:

34X

Number of entries in BioLiP:

Chemical formula:

C16 H14 F N5 O

InChI:

InChI=1S/C16H14FN5O/c17-12-8-4-5-9-13(12)20-16(23)21-22-10-14(19-15(22)18)11-6-2-1-3-7-11/h1-10H,(H2,18,19)(H2,20,21,23)

InChIKey:

FMZIYXRGFBYERG-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.9.2	c1ccc(cc1)c2cn(c(n2)N)NC(=O)Nc3ccccc3F
ACDLabs 12.01	O=C(Nn1cc(nc1N)c2ccccc2)Nc3ccccc3F
CACTVS 3.385	Nc1nc(cn1NC(=O)Nc2ccccc2F)c3ccccc3

Name:

1-(2-AMINO-4-PHENYLIMIDAZOL-1-YL)-3-(2-FLUOROPHENYL)UREA

ChEMBL:

CHEMBL3989093

ZINC:

ZINC000009338279

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).