BioLiP

PDB

BioLiP

PDB CCD ID:

UKK

Number of entries in BioLiP:

Chemical formula:

C11 H10 N2 O

InChI:

InChI=1S/C11H10N2O/c12-9-6-7-11(13-8-9)14-10-4-2-1-3-5-10/h1-8H,12H2

InChIKey:

DETKIRMPBJPJRQ-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1ccc(cc1)Oc2ccc(cn2)N
CACTVS 3.385	Nc1ccc(Oc2ccccc2)nc1

Name:

6-phenoxy-3-pyridinamine;
6-phenoxypyridin-3-amine

ZINC:

ZINC000000158925

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).