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BioLiP

PDB CCD ID: OYP
Number of entries in BioLiP: 4
Chemical formula: C23 H34 O3
InChI: InChI=1S/C23H34O3/c1-2-3-4-5-6-7-8-9-10-11-12-19-26-20-22-15-13-21(14-16-22)17-18-23(24)25/h13-16H,2-10,17-20H2,1H3,(H,24,25)
InChIKey: RYRHYCDBTFUGMI-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0CCCCCCCCCCC#CCOCc1ccc(cc1)CCC(=O)O
CACTVS 3.370CCCCCCCCCCC#CCOCc1ccc(CCC(O)=O)cc1
ACDLabs 12.01O=C(O)CCc1ccc(cc1)COCC#CCCCCCCCCCC
Name:3-{4-[(tridec-2-yn-1-yloxy)methyl]phenyl}propanoic acid
ChEMBL: CHEMBL144207
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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