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BioLiP

PDB CCD ID: YQ4
Number of entries in BioLiP: 2
Chemical formula: C26 H40 N O
InChI: InChI=1S/C26H40NO/c1-4-7-19-27(20-8-5-2,21-9-6-3)22-23-15-17-25(18-16-23)26(28)24-13-11-10-12-14-24/h10-18,26,28H,4-9,19-22H2,1-3H3/t26-/m1/s1
InChIKey: DQUWSYFZBXCPSD-AREMUKBSSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CCCC[N](CCCC)(CCCC)Cc1ccc(cc1)C(c2ccccc2)O
CACTVS 3.385CCCC[N](CCCC)(CCCC)Cc1ccc(cc1)[CH](O)c2ccccc2
CACTVS 3.385CCCC[N](CCCC)(CCCC)Cc1ccc(cc1)[C@H](O)c2ccccc2
OpenEye OEToolkits 2.0.7CCCC[N](CCCC)(CCCC)Cc1ccc(cc1)[C@@H](c2ccccc2)O
Name:(~{R})-phenyl-[4-[(tributyl-$l^{4}-azanyl)methyl]phenyl]methanol
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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