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BioLiP

PDB CCD ID: 8QA
Number of entries in BioLiP: 0
Chemical formula: C11 H20 N2 O4 S
InChI: InChI=1S/C11H20N2O4S/c12-8(11(16)17)4-1-2-7-13-9(18)5-3-6-10(14)15/h8H,1-7,12H2,(H,13,18)(H,14,15)(H,16,17)/t8-/m0/s1
InChIKey: MFVOLMDATMMURW-QMMMGPOBSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7C(CCNC(=S)CCCC(=O)O)CC(C(=O)O)N
OpenEye OEToolkits 2.0.7C(CCNC(=S)CCCC(=O)O)C[C@@H](C(=O)O)N
CACTVS 3.385N[CH](CCCCNC(=S)CCCC(O)=O)C(O)=O
CACTVS 3.385N[C@@H](CCCCNC(=S)CCCC(O)=O)C(O)=O
Name:(2S)-2-azanyl-6-[(5-oxidanyl-5-oxidanylidene-pentanethioyl)amino]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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