BioLiP

PDB

BioLiP

PDB CCD ID:

YH7

Number of entries in BioLiP:

Chemical formula:

C5 H5 N5 S

InChI:

InChI=1S/C5H5N5S/c6-3-2-4(8-1-7-2)10-5(11)9-3/h1H,(H4,6,7,8,9,10,11)

InChIKey:

LQJZZLRZEPKRRQ-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.6	C1=NC2=C(NC(=S)N=C2N1)N
CACTVS 3.370	NC1=C2N=CNC2=NC(=S)N1
ACDLabs 12.01	S=C2N=C1C(N=CN1)=C(N2)N

Name:

6-amino-1,9-dihydro-2H-purine-2-thione

ZINC:

ZINC000004353400

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).