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BioLiP

PDB CCD ID: JF0
Number of entries in BioLiP: 1
Chemical formula: C26 H29 N3 O2
InChI: InChI=1S/C26H29N3O2/c1-21-6-5-7-23(20-21)22-8-10-25(11-9-22)31-19-4-2-3-16-28-17-18-29(26(28)30)24-12-14-27-15-13-24/h5-15,20H,2-4,16-19H2,1H3
InChIKey: CVCFJWDRTKFPMW-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.9.2Cc1cccc(c1)c2ccc(cc2)OCCCCCN3CCN(C3=O)c4ccncc4
ACDLabs 12.01O=C2N(c1ccncc1)CCN2CCCCCOc4ccc(c3cccc(c3)C)cc4
CACTVS 3.385Cc1cccc(c1)c2ccc(OCCCCCN3CCN(C3=O)c4ccncc4)cc2
Name:1-(5-((3'-METHYL-[1,1'-BIPHENYL]-4-YL)OXY)PENTYL)-3-(
ZINC: ZINC000098209043
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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