SEQ2FUN

BioLiP

PDB CCD ID: CG1
Number of entries in BioLiP: 0
Chemical formula: C11 H16 N5 O8 P
InChI: InChI=1S/C11H16N5O8P/c1-22-25(20,21)23-2-4-6(17)7(18)10(24-4)16-3-13-5-8(16)14-11(12)15-9(5)19/h3-4,6-7,10,17-18H,2H2,1H3,(H,20,21)(H3,12,14,15,19)/t4-,6-,7-,10-/m1/s1
InChIKey: CTLHMSXPFVHJEK-KQYNXXCUSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0COP(=O)(O)OCC1C(C(C(O1)n2cnc3c2N=C(NC3=O)N)O)O
OpenEye OEToolkits 1.5.0CO[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2N=C(NC3=O)N)O)O
CACTVS 3.341CO[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3C(=O)NC(=Nc23)N
CACTVS 3.341CO[P@](O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3C(=O)NC(=Nc23)N
ACDLabs 10.04O=P(O)(OC)OCC3OC(n2cnc1c2N=C(N)NC1=O)C(O)C3O
Name:5'-O-[(R)-hydroxy(methoxy)phosphoryl]guanosine
ZINC: ZINC000058633385
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).