SEQ2FUN

BioLiP

PDB CCD ID: 8OS
Number of entries in BioLiP: 0
Chemical formula: C14 H18 N7 O7 P
InChI: InChI=1S/C14H18N7O7P/c1-5-12(17-3-16-5)29(25,26)27-2-6-8(22)9(23)13(28-6)21-4-18-7-10(21)19-14(15)20-11(7)24/h3-4,6,8-9,13,22-23H,2H2,1H3,(H,16,17)(H,25,26)(H3,15,19,20,24)/t6-,8-,9-,13-/m1/s1
InChIKey: MUFMHNGPMISZRD-HTVVRFAVSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Cc1nc[nH]c1[P](O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n3cnc4C(=O)NC(=Nc34)N
OpenEye OEToolkits 2.0.6Cc1c([nH]cn1)P(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3N=C(NC4=O)N)O)O
CACTVS 3.385Cc1nc[nH]c1[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)n3cnc4C(=O)NC(=Nc34)N
OpenEye OEToolkits 2.0.6Cc1c([nH]cn1)P(=O)(O)OCC2C(C(C(O2)n3cnc4c3N=C(NC4=O)N)O)O
ACDLabs 12.01O=C1NC(N)=Nc2c1ncn2C3OC(C(C3O)O)COP(c4ncnc4C)(O)=O
Name:5'-O-[(S)-hydroxy(4-methyl-1H-imidazol-5-yl)phosphoryl]guanosine
ZINC: ZINC000584905502
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).