BioLiP

PDB

BioLiP

PDB CCD ID:

1TU

Number of entries in BioLiP:

Chemical formula:

C12 H12 F2 N2 O2

InChI:

InChI=1S/C12H12F2N2O2/c1-6-15-10(12(18)16(6)2)5-7-3-8(13)11(17)9(14)4-7/h3-4,17-18H,5H2,1-2H3

InChIKey:

MSZRPLCUVKFQJC-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.6	Cc1nc(c(n1C)O)Cc2cc(c(c(c2)F)O)F
CACTVS 3.370	Cn1c(C)nc(Cc2cc(F)c(O)c(F)c2)c1O
ACDLabs 12.01	Fc1cc(cc(F)c1O)Cc2nc(n(c2O)C)C

Name:

4-(3,5-difluoro-4-hydroxybenzyl)-1,2-dimethyl-1H-imidazol-5-ol

ZINC:

ZINC000098208026

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).