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BioLiP Library

PDB CCD ID: UIY
Number of entries in BioLiP: 2
Chemical formula: C22 H24 N4 O3
InChI: InChI=1S/C22H24N4O3/c1-3-28-14-16-5-4-15(2)19(12-16)25-21-24-13-20(29-21)17-6-8-18(9-7-17)26-11-10-23-22(26)27/h4-9,12-13H,3,10-11,14H2,1-2H3,(H,23,27)(H,24,25)
InChIKey: ZBAFYGYLXHEICJ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CCOCc1ccc(C)c(Nc2oc(cn2)c3ccc(cc3)N4CCNC4=O)c1
OpenEye OEToolkits 2.0.7CCOCc1ccc(c(c1)Nc2ncc(o2)c3ccc(cc3)N4CCNC4=O)C
Name:1-[4-[2-[[5-(ethoxymethyl)-2-methyl-phenyl]amino]-1,3-oxazol-5-yl]phenyl]imidazolidin-2-one
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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