BioLiP

PDB

BioLiP

PDB CCD ID:

ECF

Number of entries in BioLiP:

Chemical formula:

C12 H9 F N4 O

InChI:

InChI=1S/C12H9FN4O/c13-7-3-8-9(17-2-1-15-6-17)5-11(14)16-12(8)10(18)4-7/h1-6,18H,(H2,14,16)

InChIKey:

QOIJKDPLEGOZIH-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Nc1cc(n2ccnc2)c3cc(F)cc(O)c3n1
OpenEye OEToolkits 2.0.7	c1cn(cn1)c2cc(nc3c2cc(cc3O)F)N

Name:

2-azanyl-6-fluoranyl-4-imidazol-1-yl-quinolin-8-ol

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).