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BioLiP

PDB CCD ID: EPT
Number of entries in BioLiP: 1
Chemical formula: C13 H20 O
InChI: InChI=1S/C13H20O/c1-2-3-4-5-6-7-12-8-10-13(14)11-9-12/h8-11,14H,2-7H2,1H3
InChIKey: KNDDEFBFJLKPFE-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04Oc1ccc(cc1)CCCCCCC
OpenEye OEToolkits 1.5.0CCCCCCCc1ccc(cc1)O
CACTVS 3.341CCCCCCCc1ccc(O)cc1
Name:HEPTANYL-P-PHENOL
ChEMBL: CHEMBL149752
DrugBank: DB03941
ZINC: ZINC000002012798
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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