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BioLiP

PDB CCD ID: F27
Number of entries in BioLiP: 2
Chemical formula: C24 H18 N2 O4
InChI: InChI=1S/C24H18N2O4/c27-21(14-11-16-9-12-18(13-10-16)17-5-2-1-3-6-17)23-25-15-22(30-23)19-7-4-8-20(26-19)24(28)29/h1-10,12-13,15H,11,14H2,(H,28,29)
InChIKey: VGYASWDHSIVABN-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 11.02O=C(c1ncc(o1)c2nc(C(=O)O)ccc2)CCc4ccc(c3ccccc3)cc4
OpenEye OEToolkits 1.7.0c1ccc(cc1)c2ccc(cc2)CCC(=O)c3ncc(o3)c4cccc(n4)C(=O)O
CACTVS 3.352OC(=O)c1cccc(n1)c2oc(nc2)C(=O)CCc3ccc(cc3)c4ccccc4
Name:6-[2-(3-biphenyl-4-ylpropanoyl)-1,3-oxazol-5-yl]pyridine-2-carboxylic acid;
6-(2-(3-(biphenyl-4-yl)propanoyl)oxazol-5-yl)picolinate
ChEMBL: CHEMBL260747
ZINC: ZINC000029151241
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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