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BioLiP Library

PDB CCD ID: DU3
Number of entries in BioLiP: 3
Chemical formula: C22 H23 N3 O4
InChI: InChI=1S/C22H23N3O4/c26-17-13-20(25-12-11-19(27)24-22(25)28)29-18(17)14-23-21(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-12,17-18,20-21,23,26H,13-14H2,(H,24,27,28)/t17-,18+,20+/m0/s1
InChIKey: JJVBLAPDVHVENR-NLWGTHIKSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.2c1ccc(cc1)C(c2ccccc2)NC[C@@H]3[C@H](C[C@@H](O3)N4C=CC(=O)NC4=O)O
CACTVS 3.370O[CH]1C[CH](O[CH]1CNC(c2ccccc2)c3ccccc3)N4C=CC(=O)NC4=O
ACDLabs 12.01O=C1NC(=O)N(C=C1)C2OC(C(O)C2)CNC(c3ccccc3)c4ccccc4
CACTVS 3.370O[C@H]1C[C@@H](O[C@@H]1CNC(c2ccccc2)c3ccccc3)N4C=CC(=O)NC4=O
OpenEye OEToolkits 1.7.2c1ccc(cc1)C(c2ccccc2)NCC3C(CC(O3)N4C=CC(=O)NC4=O)O
Name:2',5'-dideoxy-5'-[(diphenylmethyl)amino]uridine
ChEMBL: CHEMBL2420340
ZINC: ZINC000095920839
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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