SEQ2FUN

BioLiP

PDB CCD ID: DUZ
Number of entries in BioLiP: 0
Chemical formula: C17 H20 N3 O9 P
InChI: InChI=1S/C17H20N3O9P/c21-12-6-14(29-13(12)9-28-30(25,26)27)20-8-11(16(23)19-17(20)24)15(22)18-7-10-4-2-1-3-5-10/h1-5,8,12-14,21H,6-7,9H2,(H,18,22)(H,19,23,24)(H2,25,26,27)/t12-,13+,14+/m0/s1
InChIKey: RDNHEZYEIYMTCG-BFHYXJOUSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1ccc(cc1)CNC(=O)C2=CN(C(=O)NC2=O)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O
CACTVS 3.370O[CH]1C[CH](O[CH]1CO[P](O)(O)=O)N2C=C(C(=O)NCc3ccccc3)C(=O)NC2=O
ACDLabs 12.01O=P(O)(O)OCC3OC(N2C(=O)NC(=O)C(C(=O)NCc1ccccc1)=C2)CC3O
OpenEye OEToolkits 1.7.6c1ccc(cc1)CNC(=O)C2=CN(C(=O)NC2=O)C3CC(C(O3)COP(=O)(O)O)O
CACTVS 3.370O[C@H]1C[C@@H](O[C@@H]1CO[P](O)(O)=O)N2C=C(C(=O)NCc3ccccc3)C(=O)NC2=O
Name:5-(benzylcarbamoyl)-2'-deoxyuridine 5'-(dihydrogen phosphate)
ZINC: ZINC000098208810
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).