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BioLiP

PDB CCD ID: SAB
Number of entries in BioLiP: 1
Chemical formula: C11 H17 N3 O3 S
InChI: InChI=1S/C11H17N3O3S/c12-7-1-2-8-14-11(15)9-3-5-10(6-4-9)18(13,16)17/h3-6H,1-2,7-8,12H2,(H,14,15)(H2,13,16,17)
InChIKey: ZDYFRIZTYRFPJC-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1cc(ccc1C(=O)NCCCCN)S(=O)(=O)N
ACDLabs 10.04O=S(=O)(N)c1ccc(C(=O)NCCCCN)cc1
CACTVS 3.341NCCCCNC(=O)c1ccc(cc1)[S](N)(=O)=O
Name:4-SULFONAMIDE-[1-(4-AMINOBUTANE)]BENZAMIDE
ChEMBL: CHEMBL331282
DrugBank: DB03697
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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