BioLiP

PDB

BioLiP

PDB CCD ID:

XFL

Number of entries in BioLiP:

Chemical formula:

C21 H25 N5

InChI:

InChI=1S/C21H25N5/c1-14-10-18(25-20(22)12-14)8-6-16-4-3-5-17(24-16)7-9-19-11-15(2)13-21(23)26-19/h3-5,10-13H,6-9H2,1-2H3,(H2,22,25)(H2,23,26)

InChIKey:

NHAXZADCONDMKK-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.370	Cc1cc(N)nc(CCc2cccc(CCc3cc(C)cc(N)n3)n2)c1
OpenEye OEToolkits 1.7.0	Cc1cc(nc(c1)N)CCc2cccc(n2)CCc3cc(cc(n3)N)C
ACDLabs 12.01	n1c(N)cc(cc1CCc2nc(ccc2)CCc3nc(N)cc(c3)C)C

Name:

6,6'-(pyridine-2,6-diyldiethane-2,1-diyl)bis(4-methylpyridin-2-amine)

ChEMBL:

CHEMBL1615290

ZINC:

ZINC000064744251

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).