SEQ2FUN

BioLiP

PDB CCD ID: DUQ
Number of entries in BioLiP: 5
Chemical formula: C30 H31 N3 O5
InChI: InChI=1S/C30H31N3O5/c34-20-18-31-28(36)23(22-33-19-16-27(35)32-29(33)37)17-21-38-30(24-10-4-1-5-11-24,25-12-6-2-7-13-25)26-14-8-3-9-15-26/h1-16,19,23,34H,17-18,20-22H2,(H,31,36)(H,32,35,37)/t23-/m0/s1
InChIKey: POOIRAMVDDLAIT-QHCPKHFHSA-N
SMILES:
SoftwareSMILES
CACTVS 3.352OCCNC(=O)[CH](CCOC(c1ccccc1)(c2ccccc2)c3ccccc3)CN4C=CC(=O)NC4=O
OpenEye OEToolkits 1.6.1c1ccc(cc1)C(c2ccccc2)(c3ccccc3)OCC[C@@H](CN4C=CC(=O)NC4=O)C(=O)NCCO
OpenEye OEToolkits 1.6.1c1ccc(cc1)C(c2ccccc2)(c3ccccc3)OCCC(CN4C=CC(=O)NC4=O)C(=O)NCCO
CACTVS 3.352OCCNC(=O)[C@@H](CCOC(c1ccccc1)(c2ccccc2)c3ccccc3)CN4C=CC(=O)NC4=O
Name:(2S)-2-[(2,4-dioxopyrimidin-1-yl)methyl]-N-(2-hydroxyethyl)-4-trityloxy-butanamide;
5'-TRITYLATED DEOXYURIDINE ANALOGUE
ZINC: ZINC000071316960
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).