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BioLiP

PDB CCD ID: 7B0
Number of entries in BioLiP: 2
Chemical formula: C6 H15 N3 O4 S
InChI: InChI=1S/C6H15N3O4S/c7-4-2-1-3-5(6(10)11)9-14(8,12)13/h5,9H,1-4,7H2,(H,10,11)(H2,8,12,13)/t5-/m0/s1
InChIKey: IASBEZUWLDLXMF-YFKPBYRVSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6C(CCN)CC(C(=O)O)NS(=O)(=O)N
OpenEye OEToolkits 2.0.6C(CCN)C[C@@H](C(=O)O)NS(=O)(=O)N
CACTVS 3.385NCCCC[CH](N[S](N)(=O)=O)C(O)=O
CACTVS 3.385NCCCC[C@H](N[S](N)(=O)=O)C(O)=O
Name:(2~{S})-6-azanyl-2-(sulfamoylamino)hexanoic acid
ChEMBL: CHEMBL3977994
ZINC: ZINC000147654029
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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