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BioLiP

PDB CCD ID: BS1
Number of entries in BioLiP: 3
Chemical formula: C24 H30 N O
InChI: InChI=1S/C24H30NO/c1-25(2)19-13-14-20(25)16-21(15-19)26-24-22-9-5-3-7-17(22)11-12-18-8-4-6-10-23(18)24/h3-10,19-21,24H,11-16H2,1-2H3/q+1/t19-,20+,21-
InChIKey: BADPXOSJBUEVTR-WKCHPHFGSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.6.1C[N+]1(C2CCC1CC(C2)OC3c4ccccc4CCc5c3cccc5)C
CACTVS 3.352C[N+]1(C)[CH]2CC[CH]1CC(C2)O[CH]3c4ccccc4CCc5ccccc35
CACTVS 3.352C[N+]1(C)[C@H]2CC[C@@H]1CC(C2)O[C@@H]3c4ccccc4CCc5ccccc35
OpenEye OEToolkits 1.6.1C[N+]1([C@H]2CC[C@@H]1CC(C2)OC3c4ccccc4CCc5c3cccc5)C
ACDLabs 10.04O(C3c1ccccc1CCc2ccccc23)C5CC4[N+](C)(C(CC4)C5)C
Name:(3-EXO)-3-(10,11-DIHYDRO-5H-DIBENZO[A,D][7]ANNULEN-5-YLOXY)-8,8-DIMETHYL-8-AZONIABICYCLO[3.2.1]OCTANE
DrugBank: DB07494
ZINC: ZINC000100035570
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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