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BioLiP

PDB CCD ID: SJJ
Number of entries in BioLiP: 2
Chemical formula: C17 H15 N3 O3
InChI: InChI=1S/C17H15N3O3/c1-22-14-4-2-13(3-5-14)16-15(20-11-23-16)17(21)19-10-12-6-8-18-9-7-12/h2-9,11H,10H2,1H3,(H,19,21)
InChIKey: NDXJIXWTFPGHAI-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370COc1ccc(cc1)c2ocnc2C(=O)NCc3ccncc3
OpenEye OEToolkits 1.7.6COc1ccc(cc1)c2c(nco2)C(=O)NCc3ccncc3
ACDLabs 12.01O=C(c2ncoc2c1ccc(OC)cc1)NCc3ccncc3
Name:5-(4-METHOXYPHENYL)-N-(PYRIDIN-4-YLMETHYL)-1,3-OXAZOLE-4-CARBOXAMIDE
ChEMBL: CHEMBL1957085
ZINC: ZINC000073296412
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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