BioLiP

PDB

BioLiP

PDB CCD ID:

6GX

Number of entries in BioLiP:

Chemical formula:

C25 H29 N3 O3

InChI:

InChI=1S/C25H29N3O3/c1-18-22(10-7-11-23(18)20-8-5-4-6-9-20)17-31-24-13-12-21(25(28-24)30-3)16-26-14-15-27-19(2)29/h4-13,26H,14-17H2,1-3H3,(H,27,29)

InChIKey:

JEDPSOYOYVELLZ-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	COc1nc(OCc2cccc(c2C)c3ccccc3)ccc1CNCCNC(C)=O
OpenEye OEToolkits 2.0.4	Cc1c(cccc1c2ccccc2)COc3ccc(c(n3)OC)CNCCNC(=O)C
ACDLabs 12.01	O(C)c1c(CNCCNC(=O)C)ccc(n1)OCc2c(c(ccc2)c3ccccc3)C

Name:

N-{2-[({2-methoxy-6-[(2-methyl[1,1'-biphenyl]-3-yl)methoxy]pyridin-3-yl}methyl)amino]ethyl}acetamide

ChEMBL:

CHEMBL4089730

ZINC:

ZINC000306122895

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).