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BioLiP

PDB CCD ID: G31
Number of entries in BioLiP: 0
Chemical formula: C11 H16 N5 O6 P
InChI: InChI=1S/C11H16N5O6P/c1-5-2-7(22-6(5)3-21-23(18,19)20)16-4-13-8-9(16)14-11(12)15-10(8)17/h4-7H,2-3H2,1H3,(H2,18,19,20)(H3,12,14,15,17)/t5-,6+,7+/m0/s1
InChIKey: VFWJQBRJIASDIP-RRKCRQDMSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341C[C@H]1C[C@@H](O[C@@H]1CO[P](O)(O)=O)n2cnc3C(=O)NC(=Nc23)N
CACTVS 3.341C[CH]1C[CH](O[CH]1CO[P](O)(O)=O)n2cnc3C(=O)NC(=Nc23)N
OpenEye OEToolkits 1.5.0CC1CC(OC1COP(=O)(O)O)n2cnc3c2N=C(NC3=O)N
OpenEye OEToolkits 1.5.0C[C@H]1C[C@@H](O[C@@H]1COP(=O)(O)O)n2cnc3c2N=C(NC3=O)N
ACDLabs 10.04O=C1c2ncn(c2N=C(N)N1)C3OC(C(C3)C)COP(=O)(O)O
Name:3'-METHYL-2',3'-DEOXY-GUANOSINE-5'-MONOPHOSPHATE
ZINC: ZINC000058638394
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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