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BioLiP

PDB CCD ID: 0X9
Number of entries in BioLiP: 4
Chemical formula: C6 H15 N5 O4 S
InChI: InChI=1S/C6H15N5O4S/c7-6(8)10-3-1-2-4(5(12)13)11-16(9,14)15/h4,11H,1-3H2,(H,12,13)(H4,7,8,10)(H2,9,14,15)/t4-/m0/s1
InChIKey: PBEOTCYEZLQJNW-BYPYZUCNSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O=S(=O)(NC(C(=O)O)CCCNC(=[N@H])N)N
OpenEye OEToolkits 1.7.6C(CC(C(=O)O)NS(=O)(=O)N)CNC(=N)N
CACTVS 3.370NC(=N)NCCC[CH](N[S](N)(=O)=O)C(O)=O
OpenEye OEToolkits 1.7.6[H]/N=C(\N)/NCCC[C@@H](C(=O)O)NS(=O)(=O)N
CACTVS 3.370NC(=N)NCCC[C@H](N[S](N)(=O)=O)C(O)=O
Name:N~2~-sulfamoyl-L-arginine
ZINC: ZINC000095920512
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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