BioLiP

PDB

BioLiP

PDB CCD ID:

7IP

Number of entries in BioLiP:

Chemical formula:

C20 H20 N2 O

InChI:

InChI=1S/C20H20N2O/c1-23-19-9-3-7-17(14-19)16-6-2-5-15(13-16)11-12-18-8-4-10-20(21)22-18/h2-10,13-14H,11-12H2,1H3,(H2,21,22)

InChIKey:

AEVBKBAFFJKFJZ-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	COc1cccc(c1)c2cccc(c2)CCc3cccc(n3)N
CACTVS 3.341	COc1cccc(c1)c2cccc(CCc3cccc(N)n3)c2
ACDLabs 10.04	O(c1cccc(c1)c2cccc(c2)CCc3nc(N)ccc3)C

Name:

6-[2-(3'-METHOXYBIPHENYL-3-YL)ETHYL]PYRIDIN-2-AMINE

ChEMBL:

CHEMBL221170

DrugBank:

DB07245

ZINC:

ZINC000011525587

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).