BioLiP

PDB

BioLiP

PDB CCD ID:

GPN

Number of entries in BioLiP:

Chemical formula:

C11 H16 N7 O4

InChI:

InChI=1S/C11H15N7O4/c12-1-2-17(4-7(20)21)6(19)3-18-5-14-8-9(18)15-11(13)16-10(8)22/h5H,1-4,12H2,(H,20,21)(H3,13,15,16,22)/p+1

InChIKey:

WYRWRGIGYVLOGE-UHFFFAOYSA-O

SMILES:

Software	SMILES
CACTVS 3.370	NC1=Nc2n(CC(=O)N(CC[NH3+])CC(O)=O)cnc2C(=O)N1
OpenEye OEToolkits 1.7.0	c1nc2c(n1CC(=O)N(CC[NH3+])CC(=O)O)N=C(NC2=O)N
ACDLabs 12.01	O=C(O)CN(C(=O)Cn1c2N=C(NC(=O)c2nc1)N)CC[NH3+]

Name:

2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-GUANINE

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).