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BioLiP

PDB CCD ID: 7KE
Number of entries in BioLiP: 2
Chemical formula: C11 H11 Cl N2 O2
InChI: InChI=1S/C11H11ClN2O2/c12-9-5-3-8(4-6-9)11-13-10(16-14-11)2-1-7-15/h3-6,15H,1-2,7H2
InChIKey: BTURSBZSHDJVMU-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1cc(ccc1c2nc(on2)CCCO)Cl
CACTVS 3.385OCCCc1onc(n1)c2ccc(Cl)cc2
Name:3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propan-1-ol
ChEMBL: CHEMBL4062236
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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