SEQ2FUN

BioLiP

PDB CCD ID: AO9
Number of entries in BioLiP: 6
Chemical formula: C15 H16 N6 O5 S
InChI: InChI=1S/C15H16N6O5S/c16-9-1-2-21(14(25)19-9)13-11(23)10(22)8(26-13)6-17-12(24)7-5-18-15-20(7)3-4-27-15/h1-5,8,10-11,13,22-23H,6H2,(H,17,24)(H2,16,19,25)/t8-,10-,11-,13-/m1/s1
InChIKey: NPCKGXDYODQBDY-UORFTKCHSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370NC1=NC(=O)N(C=C1)[C@@H]2O[C@H](CNC(=O)c3cnc4sccn34)[C@@H](O)[C@H]2O
ACDLabs 12.01O=C1N=C(N)C=CN1C2OC(C(O)C2O)CNC(=O)c3cnc4sccn34
OpenEye OEToolkits 1.7.0c1csc2n1c(cn2)C(=O)NCC3C(C(C(O3)N4C=CC(=NC4=O)N)O)O
CACTVS 3.370NC1=NC(=O)N(C=C1)[CH]2O[CH](CNC(=O)c3cnc4sccn34)[CH](O)[CH]2O
OpenEye OEToolkits 1.7.0c1csc2n1c(cn2)C(=O)NC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=CC(=NC4=O)N)O)O
Name:5'-deoxy-5'-[(imidazo[2,1-b][1,3]thiazol-5-ylcarbonyl)amino]cytidine
ZINC: ZINC000064746500
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).