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BioLiP

PDB CCD ID: CMG
Number of entries in BioLiP: 3
Chemical formula: C12 H17 N5 O
InChI: InChI=1S/C12H17N5O/c13-12-16-10-9(14-7-15-10)11(17-12)18-6-8-4-2-1-3-5-8/h7-8H,1-6H2,(H3,13,14,15,16,17)
InChIKey: MWGXGTJJAOZBNW-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04n2c1c(ncn1)c(nc2N)OCC3CCCCC3
CACTVS 3.341Nc1nc2[nH]cnc2c(OCC3CCCCC3)n1
OpenEye OEToolkits 1.5.0c1[nH]c2c(n1)c(nc(n2)N)OCC3CCCCC3
Name:6-O-CYCLOHEXYLMETHYL GUANINE
ChEMBL: CHEMBL269881
DrugBank: DB02407
ZINC: ZINC000003873285
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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