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BioLiP Library

PDB CCD ID: AUU
Number of entries in BioLiP: 1
Chemical formula: C8 H13 N O2
InChI: InChI=1S/C8H13NO2/c9-8(7(10)11)4-5-1-2-6(8)3-5/h5-6H,1-4,9H2,(H,10,11)/t5-,6+,8+/m1/s1
InChIKey: MPUVBVXDFRDIPT-CHKWXVPMSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385N[C]1(C[CH]2CC[CH]1C2)C(O)=O
OpenEye OEToolkits 2.0.6C1CC2C[C@H]1[C@@](C2)(C(=O)O)N
OpenEye OEToolkits 2.0.6C1CC2CC1CC2(C(=O)O)N
ACDLabs 12.01C(C1(C2CCC(C1)C2)N)(=O)O
CACTVS 3.385N[C@]1(C[C@@H]2CC[C@H]1C2)C(O)=O
Name:(1S,2S,4R)-2-aminobicyclo[2.2.1]heptane-2-carboxylic acid
ZINC: ZINC000008575885
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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