SEQ2FUN

BioLiP

PDB CCD ID: GSS
Number of entries in BioLiP: 0
Chemical formula: C18 H22 N5 O8 P
InChI: InChI=1S/C18H22N5O8P/c24-7-11(10-4-2-1-3-5-10)20-18-21-16-15(17(26)22-18)19-9-23(16)14-6-12(25)13(31-14)8-30-32(27,28)29/h1-5,9,11-14,24-25H,6-8H2,(H2,27,28,29)(H2,20,21,22,26)/t11-,12+,13-,14-/m1/s1
InChIKey: PJRDXCSKOSXVOB-XJFOESAGSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1ccc(cc1)C(CO)NC2=Nc3c(ncn3C4CC(C(O4)COP(=O)(O)O)O)C(=O)N2
OpenEye OEToolkits 1.5.0c1ccc(cc1)[C@@H](CO)NC2=Nc3c(ncn3[C@H]4C[C@@H]([C@H](O4)COP(=O)(O)O)O)C(=O)N2
CACTVS 3.341OC[C@@H](NC1=Nc2n(cnc2C(=O)N1)[C@H]3C[C@H](O)[C@@H](CO[P](O)(O)=O)O3)c4ccccc4
ACDLabs 10.04O=C2c3ncn(c3N=C(NC(c1ccccc1)CO)N2)C4OC(C(O)C4)COP(=O)(O)O
CACTVS 3.341OC[CH](NC1=Nc2n(cnc2C(=O)N1)[CH]3C[CH](O)[CH](CO[P](O)(O)=O)O3)c4ccccc4
Name:2'-DEOXY-N2-(S)STYRENE OXIDE GUANOSINE MONOPHOSPHATE
ZINC: ZINC000058660419
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).