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BioLiP

PDB CCD ID: E6F
Number of entries in BioLiP: 0
Chemical formula: C7 H13 N O2
InChI: InChI=1S/C7H13NO2/c8-6-4-2-1-3-5(6)7(9)10/h5-6H,1-4,8H2,(H,9,10)/t5-,6-/m0/s1
InChIKey: USQHEVWOPJDAAX-WDSKDSINSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7C1CC[C@@H]([C@H](C1)C(=O)O)N
CACTVS 3.385N[C@H]1CCCC[C@@H]1C(O)=O
OpenEye OEToolkits 2.0.7C1CCC(C(C1)C(=O)O)N
CACTVS 3.385N[CH]1CCCC[CH]1C(O)=O
Name:(1~{S},2~{S})-2-azanylcyclohexane-1-carboxylic acid
ZINC: ZINC000004202335
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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