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BioLiP Library

PDB CCD ID: 9MN
Number of entries in BioLiP: 0
Chemical formula: C12 H23 Br N2 O3
InChI: InChI=1S/C12H23BrN2O3/c13-8-4-1-2-7-11(16)15-9-5-3-6-10(14)12(17)18/h10H,1-9,14H2,(H,15,16)(H,17,18)/t10-/m0/s1
InChIKey: KKHAIVMNFGJZBU-JTQLQIEISA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6C(CCC(=O)NCCCC[C@@H](C(=O)O)N)CCBr
OpenEye OEToolkits 2.0.6C(CCC(=O)NCCCCC(C(=O)O)N)CCBr
CACTVS 3.385N[C@@H](CCCCNC(=O)CCCCCBr)C(O)=O
CACTVS 3.385N[CH](CCCCNC(=O)CCCCCBr)C(O)=O
Name:(2~{S})-2-azanyl-6-(6-bromanylhexanoylamino)hexanoic acid
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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