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BioLiP

PDB CCD ID: 5C1
Number of entries in BioLiP: 1
Chemical formula: C10 H7 Cl N2 O3
InChI: InChI=1S/C10H7ClN2O3/c11-7-4-2-1-3-6(7)8-5-12-10(16-8)9(14)13-15/h1-5,15H,(H,13,14)
InChIKey: OZEMICSCADZYKS-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370ONC(=O)c1oc(cn1)c2ccccc2Cl
ACDLabs 12.01O=C(c1ncc(o1)c2c(Cl)cccc2)NO
OpenEye OEToolkits 1.7.2c1ccc(c(c1)c2cnc(o2)C(=O)NO)Cl
Name:5-(2-chlorophenyl)-N-hydroxy-1,3-oxazole-2-carboxamide
ZINC: ZINC000095921372
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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