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BioLiP

PDB CCD ID: V7R
Number of entries in BioLiP: 2
Chemical formula: C12 H18 N2 O3 S
InChI: InChI=1S/C12H18N2O3S/c13-9-1-7-12(8-2-9)18(16,17)14-10-3-5-11(15)6-4-10/h1-2,7-8,10-11,14-15H,3-6,13H2/t10-,11-
InChIKey: VKVIEHIBAUUKCF-XYPYZODXSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cc(ccc1N)S(=O)(=O)NC2CCC(CC2)O
CACTVS 3.385Nc1ccc(cc1)[S](=O)(=O)N[CH]2CC[CH](O)CC2
CACTVS 3.385Nc1ccc(cc1)[S](=O)(=O)N[C@@H]2CC[C@@H](O)CC2
Name:4-azanyl-~{N}-(4-oxidanylcyclohexyl)benzenesulfonamide
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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