BioLiP

PDB

BioLiP

PDB CCD ID:

734

Number of entries in BioLiP:

Chemical formula:

C19 H14 Cl N3 O2

InChI:

InChI=1S/C19H14ClN3O2/c20-14-11-13(19(24)18-12(14)5-3-9-22-18)17(15-6-4-10-25-15)23-16-7-1-2-8-21-16/h1-11,17,24H,(H,21,23)/t17-/m1/s1

InChIKey:

SZEZEZHDZJZXEC-QGZVFWFLSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.0	c1ccnc(c1)NC(c2ccco2)c3cc(c4cccnc4c3O)Cl
CACTVS 3.370	Oc1c(cc(Cl)c2cccnc12)[C@@H](Nc3ccccn3)c4occc4
ACDLabs 12.01	Clc1cc(c(O)c2ncccc12)C(Nc3ncccc3)c4occc4
OpenEye OEToolkits 1.7.0	c1ccnc(c1)N[C@@H](c2ccco2)c3cc(c4cccnc4c3O)Cl
CACTVS 3.370	Oc1c(cc(Cl)c2cccnc12)[CH](Nc3ccccn3)c4occc4

Name:

5-chloro-7-[(R)-furan-2-yl(pyridin-2-ylamino)methyl]quinolin-8-ol

ZINC:

ZINC000019849878

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).