SEQ2FUN

BioLiP

PDB CCD ID: Q61
Number of entries in BioLiP: 0
Chemical formula: C10 H12 N5 O10 P V
InChI: InChI=1S/C10H12N5O8P.H2O.O.V/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(23-9)1-22-24(19,20)21;;;/h2-3,5-6,9H,1H2,(H2,19,20,21)(H3,11,13,14,18);1H2;;/q-2;;;+3/p-1/t3-,5-,6-,9-;;;/m1.../s1
InChIKey: HLNGULJSADVEQG-CYCLDIHTSA-M
SMILES:
SoftwareSMILES
CACTVS 3.385O.NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@H](CO[P](O)(O)=O)[C@H]4O[V](=O)O[C@@H]34
CACTVS 3.385O.NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(O)=O)[CH]4O[V](=O)O[CH]34
OpenEye OEToolkits 2.0.7c1nc2c(n1C3C4C(C(O3)COP(=O)(O)O)O[V](=O)(O4)[O])N=C(NC2=O)N
ACDLabs 12.01C3(n2c1N=C(N)NC(c1nc2)=O)OC(C4C3O[V](=O)(O)O4)COP(=O)(O)O
OpenEye OEToolkits 2.0.7c1nc2c(n1[C@H]3[C@H]4[C@@H]([C@H](O3)COP(=O)(O)O)O[V](=O)(O4)[O])N=C(NC2=O)N
Name:guanosine-5'-monophosphate-2',3'-vanadate
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).