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BioLiP

PDB CCD ID: IFT
Number of entries in BioLiP: 3
Chemical formula: C20 H22 N4 O2
InChI: InChI=1S/C20H22N4O2/c1-12-19(22-13(2)21-12)15-9-7-14(8-10-15)11-18(25)23-20-16-5-3-4-6-17(16)26-24-20/h7-10H,3-6,11H2,1-2H3,(H,21,22)(H,23,24,25)
InChIKey: UAGJJYCCNWOONA-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Cc1[nH]c(c(C)n1)c2ccc(CC(=O)Nc3noc4CCCCc34)cc2
OpenEye OEToolkits 2.0.7Cc1c([nH]c(n1)C)c2ccc(cc2)CC(=O)Nc3c4c(on3)CCCC4
Name:2-[4-(2,4-dimethyl-1~{H}-imidazol-5-yl)phenyl]-~{N}-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)ethanamide
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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