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BioLiP

PDB CCD ID: A1LWL
Number of entries in BioLiP: 1
Chemical formula: C17 H25 N O
InChI: InChI=1S/C17H25NO/c19-17-9-5-4-8-16(17)18-12-10-15(11-13-18)14-6-2-1-3-7-14/h1-3,6-7,15-17,19H,4-5,8-13H2/t16-,17-/m0/s1
InChIKey: YSSBJODGIYRAMI-IRXDYDNUSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385O[CH]1CCCC[CH]1N2CCC(CC2)c3ccccc3
CACTVS 3.385O[C@H]1CCCC[C@@H]1N2CCC(CC2)c3ccccc3
OpenEye OEToolkits 2.0.7c1ccc(cc1)C2CCN(CC2)C3CCCCC3O
OpenEye OEToolkits 2.0.7c1ccc(cc1)C2CCN(CC2)[C@H]3CCCC[C@@H]3O
Name:vesamicol;
(1~{S},2~{S})-2-(4-phenylpiperidin-1-yl)cyclohexan-1-ol;
2-(4-Phenylpiperidino)cyclohexanol
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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