BioLiP

PDB

BioLiP

PDB CCD ID:

QTV

Number of entries in BioLiP:

Chemical formula:

C11 H10 F N3 O2

InChI:

InChI=1S/C11H10FN3O2/c1-8-13-11(15(16)17)7-14(8)6-9-2-4-10(12)5-3-9/h2-5,7H,6H2,1H3

InChIKey:

ANWLFOLYHZHQIN-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Cc1nc(cn1Cc2ccc(F)cc2)[N+]([O-])=O
OpenEye OEToolkits 2.0.7	Cc1nc(cn1Cc2ccc(cc2)F)[N+](=O)[O-]
ACDLabs 12.01	n2c(cn(Cc1ccc(cc1)F)c2C)[N+]([O-])=O

Name:

1-[(4-fluorophenyl)methyl]-2-methyl-4-nitro-1H-imidazole

ChEMBL:

CHEMBL4635871

ZINC:

ZINC000000083480

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).