BioLiP

PDB

BioLiP

PDB CCD ID:

96R

Number of entries in BioLiP:

Chemical formula:

C12 H10 N4 O

InChI:

InChI=1S/C12H10N4O/c13-11-6-9(16-5-4-14-7-16)8-2-1-3-10(17)12(8)15-11/h1-7,17H,(H2,13,15)

InChIKey:

KIUKAVSOOCERDK-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Nc1cc(n2ccnc2)c3cccc(O)c3n1
OpenEye OEToolkits 2.0.6	c1cc2c(cc(nc2c(c1)O)N)n3ccnc3
ACDLabs 12.01	c1ccc(c3c1c(n2ccnc2)cc(n3)N)O

Name:

2-amino-4-(1H-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).