SEQ2FUN

BioLiP

PDB CCD ID: 8AZ
Number of entries in BioLiP: 0
Chemical formula: C9 H14 N5 O8 P
InChI: InChI=1S/C9H14N5O8P/c15-5-3(1-21-23(18,19)20)22-9(6(5)16)14-7-4(12-13-14)8(17)11-2-10-7/h2-3,5-6,8-9,15-17H,1H2,(H,10,11)(H2,18,19,20)/t3-,5-,6-,8-,9-/m1/s1
InChIKey: SBZIEWBNPJQPBV-TWZMMTIKSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.4C1=Nc2c(nnn2[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)[C@H](N1)O
CACTVS 3.385O[CH]1NC=Nc2n(nnc12)[CH]3O[CH](CO[P](O)(O)=O)[CH](O)[CH]3O
OpenEye OEToolkits 2.0.4C1=Nc2c(nnn2C3C(C(C(O3)COP(=O)(O)O)O)O)C(N1)O
CACTVS 3.385O[C@H]1NC=Nc2n(nnc12)[C@@H]3O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]3O
Name:8-aza-nebularine-5'-monophosphate
ZINC: ZINC000584905433
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).