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BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP Tara-3D TM-fold DECOYS POTENTIAL RW/RWplus EvoEF HPSF THE-DB ADDRESS Alpaca-Antibody CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13 CASP14

BioLiP

PDB CCD ID: 3RK
Number of entries in BioLiP: 4
Chemical formula: C6 H13 N O4
InChI: InChI=1S/C6H13NO4/c8-3-1-7-2-4(9)6(11)5(3)10/h3-11H,1-2H2/t3-,4-,5+,6+/m0/s1
InChIKey: MRFFNLOQLBWKPJ-UNTFVMJOSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0C1[C@@H]([C@H]([C@@H]([C@H](CN1)O)O)O)O
CACTVS 3.370O[CH]1CNC[CH](O)[CH](O)[CH]1O
ACDLabs 12.01OC1C(O)C(O)CNCC1O
OpenEye OEToolkits 1.7.0C1C(C(C(C(CN1)O)O)O)O
CACTVS 3.370O[C@H]1CNC[C@H](O)[C@@H](O)[C@@H]1O
Name:(3S,4R,5R,6S)-azepane-3,4,5,6-tetrol
ChEMBL: CHEMBL13922

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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