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BioLiP

PDB CCD ID: VIG
Number of entries in BioLiP: 7
Chemical formula: C6 H13 N O2
InChI: InChI=1S/C6H13NO2/c1-2-5(7)3-4-6(8)9/h5H,2-4,7H2,1H3,(H,8,9)/t5-/m1/s1
InChIKey: ROFNJLCLYMMXCT-RXMQYKEDSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC[C@H](CCC(=O)O)N
CACTVS 3.341CC[CH](N)CCC(O)=O
CACTVS 3.341CC[C@@H](N)CCC(O)=O
ACDLabs 10.04O=C(O)CCC(N)CC
OpenEye OEToolkits 1.5.0CCC(CCC(=O)O)N
Name:4-AMINO HEXANOIC ACID
DrugBank: DB04235
ZINC: ZINC000005925575
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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