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BioLiP

PDB CCD ID: 1L1
Number of entries in BioLiP: 0
Chemical formula: C9 H18 N2 O4 S
InChI: InChI=1S/C9H18N2O4S/c10-16(14,15)11-8(9(12)13)6-7-4-2-1-3-5-7/h7-8,11H,1-6H2,(H,12,13)(H2,10,14,15)/t8-/m1/s1
InChIKey: LHUDYJGZVNZVTM-MRVPVSSYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6C1CCC(CC1)C[C@H](C(=O)O)NS(=O)(=O)N
CACTVS 3.370N[S](=O)(=O)N[C@H](CC1CCCCC1)C(O)=O
ACDLabs 12.01O=C(O)C(NS(=O)(=O)N)CC1CCCCC1
OpenEye OEToolkits 1.7.6C1CCC(CC1)CC(C(=O)O)NS(=O)(=O)N
CACTVS 3.370N[S](=O)(=O)N[CH](CC1CCCCC1)C(O)=O
Name:3-cyclohexyl-N-sulfamoyl-D-alanine
ZINC: ZINC000098207987
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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