BioLiP

PDB

BioLiP

PDB CCD ID:

5F7

Number of entries in BioLiP:

Chemical formula:

C17 H14 Cl2 N2 O

InChI:

InChI=1S/C17H14Cl2N2O/c1-21(17-13(18)4-3-5-14(17)19)11-6-7-15-12(10-11)16(22-2)8-9-20-15/h3-10H,1-2H3

InChIKey:

IQXIXPLQQDFASE-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	c1cc(OC)c2c(n1)ccc(c2)N(c3c(Cl)cccc3Cl)C
OpenEye OEToolkits 1.9.2	CN(c1ccc2c(c1)c(ccn2)OC)c3c(cccc3Cl)Cl
CACTVS 3.385	COc1ccnc2ccc(cc12)N(C)c3c(Cl)cccc3Cl

Name:

N-(2,6-dichlorophenyl)-4-methoxy-N-methylquinolin-6-amine

ChEMBL:

CHEMBL4575148

ZINC:

ZINC000584904787

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).