BioLiP

PDB

BioLiP

PDB CCD ID:

BS7

Number of entries in BioLiP:

Chemical formula:

C15 H17 N O6

InChI:

InChI=1S/C15H17NO6/c17-7-10-12(18)13(19)14(20)15(22-10)21-9-5-1-3-8-4-2-6-16-11(8)9/h1-6,10,12-15,17-20H,7H2/t10-,12+,13+,14-,15-/m1/s1

InChIKey:

BWMXDESAZVPVGR-BGNCJLHMSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	c1cc2cccnc2c(c1)OC3C(C(C(C(O3)CO)O)O)O
CACTVS 3.385	OC[CH]1O[CH](Oc2cccc3cccnc23)[CH](O)[CH](O)[CH]1O
ACDLabs 12.01	C3(C(C(Oc2c1c(cccn1)ccc2)OC(C3O)CO)O)O
OpenEye OEToolkits 2.0.6	c1cc2cccnc2c(c1)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O
CACTVS 3.385	OC[C@H]1O[C@@H](Oc2cccc3cccnc23)[C@H](O)[C@@H](O)[C@H]1O

Name:

8-hydroxyquinoline beta-galactopyranoside;
quinolin-8-yl beta-D-galactopyranoside;
8-hydroxyquinoline beta-galactoside

ZINC:

ZINC000034004478

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).