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BioLiP Library

PDB CCD ID: BW5
Number of entries in BioLiP: 0
Chemical formula: C13 H21 N O2
InChI: InChI=1S/C13H21NO2/c14-11(12(15)16)7-13-4-8-1-9(5-13)3-10(2-8)6-13/h8-11H,1-7,14H2,(H,15,16)/t8-,9+,10-,11-,13-/m0/s1
InChIKey: ZAQXSMCYFQJRCQ-FBUUZDRASA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6C1C2CC3CC1CC(C2)(C3)C[C@@H](C(=O)O)N
OpenEye OEToolkits 2.0.6C1C2CC3CC1CC(C2)(C3)CC(C(=O)O)N
CACTVS 3.385N[CH](CC12CC3CC(CC(C3)C1)C2)C(O)=O
CACTVS 3.385N[C@@H](CC12CC3CC(CC(C3)C1)C2)C(O)=O
Name:(2~{S})-3-(1-adamantyl)-2-azanyl-propanoic acid
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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