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BioLiP

PDB CCD ID: LYK
Number of entries in BioLiP: 0
Chemical formula: C6 H16 N2 O2
InChI: InChI=1S/C6H16N2O2/c7-4-2-1-3-5(8)6(9)10/h5-6,9-10H,1-4,7-8H2/t5-/m0/s1
InChIKey: KAIAEVMOENBGKZ-YFKPBYRVSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0C(CCN)CC(C(O)O)N
CACTVS 3.370NCCCC[CH](N)C(O)O
CACTVS 3.370NCCCC[C@H](N)C(O)O
OpenEye OEToolkits 1.7.0C(CCN)C[C@@H](C(O)O)N
ACDLabs 12.01OC(O)C(N)CCCCN
Name:(2S)-2,6-diaminohexane-1,1-diol
ZINC: ZINC000064746703
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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