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BioLiP

PDB CCD ID: JWH
Number of entries in BioLiP: 1
Chemical formula: C15 H21 N O3
InChI: InChI=1S/C15H21NO3/c1-2-3-4-5-6-11-14(17)16-13-10-8-7-9-12(13)15(18)19/h7-10H,2-6,11H2,1H3,(H,16,17)(H,18,19)
InChIKey: DIBJPKPIMHBNDD-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CCCCCCCC(=O)Nc1ccccc1C(=O)O
CACTVS 3.385CCCCCCCC(=O)Nc1ccccc1C(O)=O
Name:2-(octanoylamino)benzoic acid
ZINC: ZINC000003157900
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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