SEQ2FUN

BioLiP

PDB CCD ID: GA2
Number of entries in BioLiP: 3
Chemical formula: C9 H13 N5 O4
InChI: InChI=1S/C9H13N5O4/c10-9-12-7-6(8(17)13-9)11-3-14(7)4-18-5(1-15)2-16/h3,5,15-16H,1-2,4H2,(H3,10,12,13,17)
InChIKey: IRSCQMHQWWYFCW-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341NC1=Nc2n(COC(CO)CO)cnc2C(=O)N1
OpenEye OEToolkits 1.5.0c1nc2c(n1COC(CO)CO)N=C(NC2=O)N
ACDLabs 10.04O=C2NC(=Nc1c2ncn1COC(CO)CO)N
Name:9-(1,3-DIHYDROXY-PROPOXYMETHANE)GUANINE
ChEMBL: CHEMBL182
DrugBank: DB01004
ZINC: ZINC000000001505
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).