BioLiP

PDB

BioLiP

PDB CCD ID:

GSY

Number of entries in BioLiP:

Chemical formula:

C7 H9 N5 O2 S

InChI:

InChI=1S/C7H9N5O2S/c8-6-9-4-3(5(14)11-6)12(1-2-13)7(15)10-4/h13H,1-2H2,(H4,8,9,10,11,14,15)

InChIKey:

OYFBJNRCXXDVIZ-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.9.2	C(CO)n1c2c(nc1S)N=C(NC2=O)N
CACTVS 3.385	NC1=Nc2nc(S)n(CCO)c2C(=O)N1
ACDLabs 12.01	O=C1c2c(N=C(N1)N)nc(S)n2CCO

Name:

7-(2-HYDROXYETHYL)-8-MERCAPTOGUANINE

ZINC:

ZINC000098208970

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).