BioLiP

PDB

BioLiP

PDB CCD ID:

BI5

Number of entries in BioLiP:

Chemical formula:

C19 H16 N2 O2

InChI:

InChI=1S/C19H16N2O2/c22-19(21-14-16-6-4-5-13-20-16)15-9-11-18(12-10-15)23-17-7-2-1-3-8-17/h1-13H,14H2,(H,21,22)

InChIKey:

HVLSCZSVTCNAQX-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	c1ccc(cc1)Oc2ccc(cc2)C(=O)NCc3ccccn3
ACDLabs 10.04	O=C(NCc1ncccc1)c3ccc(Oc2ccccc2)cc3
CACTVS 3.341	O=C(NCc1ccccn1)c2ccc(Oc3ccccc3)cc2

Name:

4-PHENOXY-N-(PYRIDIN-2-YLMETHYL)BENZAMIDE

ChEMBL:

CHEMBL199237

DrugBank:

DB07459

ZINC:

ZINC000013284470

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).