BioLiP

PDB

BioLiP

PDB CCD ID:

96U

Number of entries in BioLiP:

Chemical formula:

C12 H10 N4 O2

InChI:

InChI=1S/C12H10N4O2/c13-11-5-9(16-2-1-14-6-16)8-3-7(17)4-10(18)12(8)15-11/h1-6,17-18H,(H2,13,15)

InChIKey:

ORPCIQGKZXBLNN-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Nc1cc(n2ccnc2)c3cc(O)cc(O)c3n1
ACDLabs 12.01	c1c(O)cc(c2c1c(cc(n2)N)n3cncc3)O
OpenEye OEToolkits 2.0.6	c1cn(cn1)c2cc(nc3c2cc(cc3O)O)N

Name:

2-amino-4-(1H-imidazol-1-yl)quinoline-6,8-diol

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).