SEQ2FUN

BioLiP

PDB CCD ID: 6GO
Number of entries in BioLiP: 2
Chemical formula: C6 H7 N5 O
InChI: InChI=1S/C6H7N5O/c1-12-5-3-4(9-2-8-3)10-6(7)11-5/h2H,1H3,(H3,7,8,9,10,11)
InChIKey: BXJHWYVXLGLDMZ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341COc1nc(N)nc2nc[nH]c12
OpenEye OEToolkits 1.5.0COc1c2c(nc[nH]2)nc(n1)N
ACDLabs 10.04n1c(OC)c2c(nc1N)ncn2
Name:6-O-methylguanine;
6-methoxy-7H-purin-2-amine
ChEMBL: CHEMBL226395
ZINC: ZINC000004770610
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).