SEQ2FUN

BioLiP

PDB CCD ID: EIX
Number of entries in BioLiP: 0
Chemical formula: C10 H17 F N3 O7 P S
InChI: InChI=1S/C10H17FN3O7PS/c1-10(11)7(12)13-9(16)14(8(10)23)6-2-4(15)5(21-6)3-20-22(17,18)19/h4-6,8,15,23H,2-3H2,1H3,(H2,12,13,16)(H2,17,18,19)/t4-,5+,6-,8+,10+/m0/s1
InChIKey: WAORVXYEMGHEBO-ULKLUNNDSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385C[C]1(F)[CH](S)N([CH]2C[CH](O)[CH](CO[P](O)(O)=O)O2)C(=O)N=C1N
OpenEye OEToolkits 2.0.7CC1(C(N(C(=O)N=C1N)C2CC(C(O2)COP(=O)(O)O)O)S)F
OpenEye OEToolkits 2.0.7C[C@@]1([C@H](N(C(=O)N=C1N)[C@@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O)S)F
CACTVS 3.385C[C@]1(F)[C@@H](S)N([C@@H]2C[C@H](O)[C@@H](CO[P](O)(O)=O)O2)C(=O)N=C1N
Name:[(2R,3S,5S)-5-[(4R,5R)-6-azanyl-5-fluoranyl-5-methyl-2-oxidanylidene-4-sulfanyl-4H-pyrimidin-3-yl]-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate
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).