BioLiP

PDB

BioLiP

PDB CCD ID:

ANE

Number of entries in BioLiP:

Chemical formula:

C5 H5 N5

InChI:

InChI=1/C5H5N5/c6-4-3-5(9-1-7-3)10-2-8-4/h1-2H,(H3,6,7,8,9,10)/f/h9H,6H2

InChIKey:

GFFGJBXGBJISGV-KYDDBTJZCX

SMILES:

Software	SMILES
CACTVS 3.341	Nc1ncnc2[nH]cnc12
OpenEye OEToolkits 1.5.0	c1[nH]c2c(n1)c(ncn2)N
ACDLabs 10.04	n1c(c2ncnc2nc1)N

Name:

ADENINE

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).