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BioLiP

PDB CCD ID: 2C7
Number of entries in BioLiP: 1
Chemical formula: C16 H21 N O5 S2
InChI: InChI=1S/C16H21NO5S2/c17-24(20,21)22-14-8-7-13-10-15(23(18,19)16(13)11-14)9-12-5-3-1-2-4-6-12/h7-8,10-12H,1-6,9H2,(H2,17,20,21)
InChIKey: BIASYWBGUYOWJR-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1cc2c(cc1OS(=O)(=O)N)S(=O)(=O)C(=C2)CC3CCCCCC3
CACTVS 3.341N[S](=O)(=O)Oc1ccc2C=C(CC3CCCCCC3)[S](=O)(=O)c2c1
ACDLabs 10.04O=S(=O)(Oc1ccc2c(c1)S(=O)(=O)C(=C2)CC3CCCCCC3)N
Name:2-(cycloheptylmethyl)-1,1-dioxido-1-benzothiophen-6-yl sulfamate
ChEMBL: CHEMBL476937
DrugBank: DB06954
ZINC: ZINC000039123364
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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