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BioLiP

PDB CCD ID: 12L
Number of entries in BioLiP: 0
Chemical formula: C8 H13 N O2
InChI: InChI=1S/C8H13NO2/c1-8(2)4-3-9-6(5(4)8)7(10)11/h4-6,9H,3H2,1-2H3,(H,10,11)/t4-,5-,6-/m0/s1
InChIKey: SSKYNJZREFFALT-ZLUOBGJFSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O=C(O)C1NCC2C1C2(C)C
OpenEye OEToolkits 1.7.6CC1(C2C1C(NC2)C(=O)O)C
CACTVS 3.370CC1(C)[CH]2CN[CH]([CH]12)C(O)=O
OpenEye OEToolkits 1.7.6CC1([C@@H]2[C@H]1[C@H](NC2)C(=O)O)C
CACTVS 3.370CC1(C)[C@H]2CN[C@@H]([C@@H]12)C(O)=O
Name:(1R,2S,5S)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxylic acid
ZINC: ZINC000085224122
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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