SEQ2FUN

BioLiP

PDB CCD ID: FOX
Number of entries in BioLiP: 0
Chemical formula: C11 H18 N5 O7 P
InChI: InChI=1S/C11H18N5O7P/c12-11-15-9(8(13-4-17)10(19)16-11)14-6-1-5(7(18)2-6)3-23-24(20,21)22/h4-7,18H,1-3H2,(H,13,17)(H2,20,21,22)(H4,12,14,15,16,19)/t5-,6-,7+/m1/s1
InChIKey: UQRLPMGPCBTFTR-QYNIQEEDSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341NC1=NC(=O)C(=C(N[C@H]2C[C@H](O)[C@@H](CO[P](O)(O)=O)C2)N1)NC=O
OpenEye OEToolkits 1.5.0C1[C@H](C[C@@H]([C@H]1COP(=O)(O)O)O)NC2=C(C(=O)N=C(N2)N)NC=O
ACDLabs 10.04O=C1N=C(NC(=C1NC=O)NC2CC(COP(=O)(O)O)C(O)C2)N
CACTVS 3.341NC1=NC(=O)C(=C(N[CH]2C[CH](O)[CH](CO[P](O)(O)=O)C2)N1)NC=O
OpenEye OEToolkits 1.5.0C1C(CC(C1COP(=O)(O)O)O)NC2=C(C(=O)N=C(N2)N)NC=O
Name:((1R,2S,4R)-4-{[2-AMINO-5-(FORMYLAMINO)-6-OXO-3,6-DIHYDROPYRIMIDIN-4-YL]AMINO}-2-HYDROXYCYCLOPENTYL)METHYL 5'-PHOSPHATE
ZINC: ZINC000058633690
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).