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BioLiP Library

PDB CCD ID: YUX
Number of entries in BioLiP: 2
Chemical formula: C21 H33 N3 O
InChI: InChI=1S/C21H33N3O/c1-2-3-4-5-6-7-8-9-11-18-13-15-19(16-14-18)21-23-20(25-24-21)12-10-17-22/h13-16H,2-12,17,22H2,1H3
InChIKey: VLTITRMWGPJCFJ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CCCCCCCCCCc1ccc(cc1)c2nc(on2)CCCN
ACDLabs 12.01CCCCCCCCCCc1ccc(cc1)c1nc(CCCN)on1
CACTVS 3.385CCCCCCCCCCc1ccc(cc1)c2noc(CCCN)n2
Name:3-[3-(4-decylphenyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
ChEMBL: CHEMBL5222112
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)(download the PDF file).
  • 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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