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BioLiP Library

PDB CCD ID: AD8
Number of entries in BioLiP: 2
Chemical formula: C15 H20 N2 O
InChI: InChI=1S/C15H20N2O/c18-14(9-17-2-1-16-10-17)15-6-11-3-12(7-15)5-13(4-11)8-15/h1-2,10-13H,3-9H2/t11-,12+,13-,15-
InChIKey: BBCQJSMDKDHVKG-BVMXXOESSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1cn(cn1)CC(=O)C23CC4CC(C2)CC(C4)C3
CACTVS 3.341O=C(Cn1ccnc1)C23CC4CC(CC(C4)C2)C3
ACDLabs 10.04O=C(C13CC2CC(CC(C1)C2)C3)Cn4ccnc4
Name:1-(adamantan-1-yl)-2-(1H-imidazol-1-yl)ethanone;
2-(1H-imidazol-1-yl)-1-[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec-1-yl]ethanone
DrugBank: DB07342
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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