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BioLiP

PDB CCD ID: DUA
Number of entries in BioLiP: 6
Chemical formula: C28 H27 N3 O4
InChI: InChI=1S/C28H27N3O4/c32-23-18-26(31-17-16-25(33)30-27(31)34)35-24(23)19-29-28(20-10-4-1-5-11-20,21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-17,23-24,26,29,32H,18-19H2,(H,30,33,34)/t23-,24+,26+/m0/s1
InChIKey: TUZNCXRMWDUVNX-BFLUCZKCSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370O[C@H]1C[C@@H](O[C@@H]1CNC(c2ccccc2)(c3ccccc3)c4ccccc4)N5C=CC(=O)NC5=O
OpenEye OEToolkits 1.7.2c1ccc(cc1)C(c2ccccc2)(c3ccccc3)NCC4C(CC(O4)N5C=CC(=O)NC5=O)O
CACTVS 3.370O[CH]1C[CH](O[CH]1CNC(c2ccccc2)(c3ccccc3)c4ccccc4)N5C=CC(=O)NC5=O
OpenEye OEToolkits 1.7.2c1ccc(cc1)C(c2ccccc2)(c3ccccc3)NC[C@@H]4[C@H](C[C@@H](O4)N5C=CC(=O)NC5=O)O
ACDLabs 12.01O=C1NC(=O)N(C=C1)C2OC(C(O)C2)CNC(c3ccccc3)(c4ccccc4)c5ccccc5
Name:2',5'-dideoxy-5'-(tritylamino)uridine
ChEMBL: CHEMBL377582
ZINC: ZINC000013673354
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023)(download the PDF file).
  • 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).

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