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BioLiP

PDB CCD ID: F2C
Number of entries in BioLiP: 2
Chemical formula: C22 H22 N2 O4
InChI: InChI=1S/C22H22N2O4/c25-19(14-7-2-1-4-9-16-10-5-3-6-11-16)21-23-15-20(28-21)17-12-8-13-18(24-17)22(26)27/h3,5-6,8,10-13,15H,1-2,4,7,9,14H2,(H,26,27)
InChIKey: DZMRAEAGLIEJDZ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.352OC(=O)c1cccc(n1)c2oc(nc2)C(=O)CCCCCCc3ccccc3
ACDLabs 11.02O=C(c1ncc(o1)c2nc(C(=O)O)ccc2)CCCCCCc3ccccc3
OpenEye OEToolkits 1.7.0c1ccc(cc1)CCCCCCC(=O)c2ncc(o2)c3cccc(n3)C(=O)O
Name:6-[2-(7-phenylheptanoyl)-1,3-oxazol-5-yl]pyridine-2-carboxylic acid;
6-(2-(7-phenylheptanoyl)oxazol-5-yl)picolinate
ChEMBL: CHEMBL219942
ZINC: ZINC000034803644
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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