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BioLiP

PDB CCD ID: ZHJ
Number of entries in BioLiP: 1
Chemical formula: C20 H19 N3 O5
InChI: InChI=1S/C20H19N3O5/c1-28-15-11-12(7-8-14(15)24)9-10-21-19(26)16-17(25)20(27)23-18(22-16)13-5-3-2-4-6-13/h2-8,11,24-25H,9-10H2,1H3,(H,21,26)(H,22,23,27)
InChIKey: SMGLFQZBAVAYPQ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01OC1=C(N=C(NC1=O)c1ccccc1)C(=O)NCCc1ccc(O)c(OC)c1
CACTVS 3.385COc1cc(CCNC(=O)C2=C(O)C(=O)NC(=N2)c3ccccc3)ccc1O
OpenEye OEToolkits 2.0.7COc1cc(ccc1O)CCNC(=O)C2=C(C(=O)NC(=N2)c3ccccc3)O
Name:5-hydroxy-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-6-oxo-2-phenyl-1,6-dihydropyrimidine-4-carboxamide
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).
  • 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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