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BioLiP

PDB CCD ID: 0LR
Number of entries in BioLiP: 2
Chemical formula: C22 H23 N O
InChI: InChI=1S/C22H23NO/c1-2-7-19(8-3-1)21-12-13-23-15-22(21)24-16-17-10-11-18-6-4-5-9-20(18)14-17/h1-11,14,21-23H,12-13,15-16H2/t21-,22+/m1/s1
InChIKey: CLTKEDPZPCYCIO-YADHBBJMSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O(Cc2cc1ccccc1cc2)C4C(c3ccccc3)CCNC4
OpenEye OEToolkits 1.7.6c1ccc(cc1)C2CCNCC2OCc3ccc4ccccc4c3
OpenEye OEToolkits 1.7.6c1ccc(cc1)[C@H]2CCNC[C@@H]2OCc3ccc4ccccc4c3
CACTVS 3.370C1C[CH]([CH](CN1)OCc2ccc3ccccc3c2)c4ccccc4
CACTVS 3.370C1C[C@@H]([C@H](CN1)OCc2ccc3ccccc3c2)c4ccccc4
Name:(3R,4R)-3-(naphthalen-2-ylmethoxy)-4-phenylpiperidine
ChEMBL: CHEMBL2322604
ZINC: ZINC000095584120
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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