BioLiP

PDB

BioLiP

PDB CCD ID:

KPN

Number of entries in BioLiP:

Chemical formula:

C16 H18 N4 O3

InChI:

InChI=1S/C16H18N4O3/c17-6-8-20(11-16(22)23)15(21)9-12-4-5-14(19-10-12)13-3-1-2-7-18-13/h1-5,7,10H,6,8-9,11,17H2,(H,22,23)

InChIKey:

AYWFQSXGKGSEHN-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	O=C(O)CN(C(=O)Cc2cnc(c1ncccc1)cc2)CCN
OpenEye OEToolkits 1.7.0	c1ccnc(c1)c2ccc(cn2)CC(=O)N(CCN)CC(=O)O
CACTVS 3.370	NCCN(CC(O)=O)C(=O)Cc1ccc(nc1)c2ccccn2

Name:

N-(2-aminoethyl)-N-(2,2'-bipyridin-5-ylacetyl)glycine

ZINC:

ZINC000064746691

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).