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BioLiP

PDB CCD ID: 673
Number of entries in BioLiP: 1
Chemical formula: C21 H27 N O
InChI: InChI=1S/C21H27NO/c1-4-9-20-16-19(18-10-6-5-7-11-18)12-13-21(20)23-15-8-14-22-17(2)3/h4-7,10-13,16-17,22H,1,8-9,14-15H2,2-3H3
InChIKey: CKIDETHAWPUGOQ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.352
OpenEye OEToolkits 1.7.0		CC(C)NCCCOc1ccc(cc1CC=C)c2ccccc2
Name:N-(1-methylethyl)-3-[(3-prop-2-en-1-ylbiphenyl-4-yl)oxy]propan-1-amine
ChEMBL: CHEMBL131973
ZINC: ZINC000013743796
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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