BioLiP

PDB

BioLiP

PDB CCD ID:

A1AYE

Number of entries in BioLiP:

Chemical formula:

C12 H11 Cl N2 O

InChI:

InChI=1S/C12H11ClN2O/c1-8-6-10(3-4-11(8)13)16-12-5-2-9(14)7-15-12/h2-7H,14H2,1H3

InChIKey:

WLGFEUQNIQLGGZ-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Cc1cc(Oc2ccc(N)cn2)ccc1Cl
OpenEye OEToolkits 2.0.7	Cc1cc(ccc1Cl)Oc2ccc(cn2)N
ACDLabs 12.01	Cc1cc(ccc1Cl)Oc1ccc(N)cn1

Name:

6-(4-chloro-3-methylphenoxy)pyridin-3-amine

ChEMBL:

CHEMBL1543848

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).