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BioLiP

PDB CCD ID: LOW
Number of entries in BioLiP: 4
Chemical formula: C10 H17 N O
InChI: InChI=1S/C10H17NO/c11-9-2-7-1-8(3-9)5-10(12,4-7)6-9/h7-8,12H,1-6,11H2/t7-,8+,9+,10-
InChIKey: DWPIPTNBOVJYAD-FIRGSJFUSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7C1[C@@H]2CC3(C[C@H]1CC(C2)(C3)O)N
CACTVS 3.385NC12C[CH]3C[CH](C1)CC(O)(C3)C2
OpenEye OEToolkits 2.0.7C1C2CC3(CC1CC(C2)(C3)O)N
CACTVS 3.385NC12C[C@@H]3C[C@H](C1)CC(O)(C3)C2
Name:(5~{S},7~{R})-3-azanyladamantan-1-ol
ZINC: ZINC000100009324
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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