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BioLiP

PDB CCD ID: GFI
Number of entries in BioLiP: 1
Chemical formula: C19 H19 F3 N4 O4
InChI: InChI=1S/C19H19F3N4O4/c1-11-9-12(16-23-18(30-25-16)19(20,21)22)6-7-15(11)28-8-4-5-13-10-14(24-29-13)17(27)26(2)3/h6-7,9-10H,4-5,8H2,1-3H3
InChIKey: ZDMWUMVBMYLHFC-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01CN(C)C(=O)c1cc(on1)CCCOc1ccc(cc1C)c1nc(on1)C(F)(F)F
OpenEye OEToolkits 2.0.7Cc1cc(ccc1OCCCc2cc(no2)C(=O)N(C)C)c3nc(on3)C(F)(F)F
CACTVS 3.385CN(C)C(=O)c1cc(CCCOc2ccc(cc2C)c3noc(n3)C(F)(F)F)on1
Name:N,N-dimethyl-5-(3-{2-methyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy}propyl)-1,2-oxazole-3-carboxamide
ChEMBL: CHEMBL4786215
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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