BioLiP

PDB

BioLiP

PDB CCD ID:

A1AA3

Number of entries in BioLiP:

Chemical formula:

C16 H14 N4

InChI:

InChI=1S/C16H14N4/c17-13-4-6-19-15(9-13)11-2-1-3-12(8-11)16-10-14(18)5-7-20-16/h1-10H,(H2,17,19)(H2,18,20)

InChIKey:

XLXGLQRJMSGVPH-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Nc1ccnc(c1)c2cccc(c2)c3cc(N)ccn3
OpenEye OEToolkits 2.0.7	c1cc(cc(c1)c2cc(ccn2)N)c3cc(ccn3)N
ACDLabs 12.01	Nc1cc(ncc1)c1cc(ccc1)c1cc(N)ccn1

Name:

(2P,2'P)-2,2'-(1,3-phenylene)di(pyridin-4-amine)

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).