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BioLiP

PDB CCD ID: AMH
Number of entries in BioLiP: 11
Chemical formula: C8 H15 N O2
InChI: InChI=1S/C8H15NO2/c9-5-6-1-3-7(4-2-6)8(10)11/h6-7H,1-5,9H2,(H,10,11)/t6-,7-
InChIKey: GYDJEQRTZSCIOI-LJGSYFOKSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04O=C(O)C1CCC(CN)CC1
CACTVS 3.341NC[C@@H]1CC[C@H](CC1)C(O)=O
OpenEye OEToolkits 1.5.0C1CC(CCC1CN)C(=O)O
CACTVS 3.341NC[CH]1CC[CH](CC1)C(O)=O
Name:TRANS-4-AMINOMETHYLCYCLOHEXANE-1-CARBOXYLIC ACID
ChEMBL: CHEMBL877
DrugBank: DB00302
ZINC: ZINC000100071256
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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