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BioLiP

PDB CCD ID: AC2
Number of entries in BioLiP: 15
Chemical formula: C8 H11 N5 O3
InChI: InChI=1S/C8H11N5O3/c9-8-11-6-5(7(15)12-8)10-3-13(6)4-16-2-1-14/h3,14H,1-2,4H2,(H3,9,11,12,15)
InChIKey: MKUXAQIIEYXACX-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1nc2c(n1COCCO)N=C(NC2=O)N
ACDLabs 10.04O=C1c2ncn(c2N=C(N1)N)COCCO
CACTVS 3.341NC1=Nc2n(COCCO)cnc2C(=O)N1
Name:9-HYROXYETHOXYMETHYLGUANINE
ChEMBL: CHEMBL184
DrugBank: DB00787
ZINC: ZINC000001530555
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L 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).

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