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BioLiP Library

PDB CCD ID: 8SZ
Number of entries in BioLiP: 4
Chemical formula: C6 H15 N3 O2
InChI: InChI=1S/C6H15N3O2/c7-4-2-1-3-5(8)6(10)9-11/h5,11H,1-4,7-8H2,(H,9,10)/t5-/m0/s1
InChIKey: NZWPVDFOIUKVSJ-YFKPBYRVSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6C(CCN)CC(C(=O)NO)N
OpenEye OEToolkits 2.0.6C(CCN)C[C@@H](C(=O)NO)N
CACTVS 3.385NCCCC[CH](N)C(=O)NO
CACTVS 3.385NCCCC[C@H](N)C(=O)NO
Name:(2~{S})-2,6-bis(azanyl)-~{N}-oxidanyl-hexanamide
ChEMBL: CHEMBL218019
ZINC: ZINC000005113179
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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