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BioLiP

PDB CCD ID: RZ5
Number of entries in BioLiP: 1
Chemical formula: C12 H18 N2 O3 S
InChI: InChI=1S/C12H18N2O3S/c1-2-3-4-9-14-12(15)10-5-7-11(8-6-10)18(13,16)17/h5-8H,2-4,9H2,1H3,(H,14,15)(H2,13,16,17)
InChIKey: KESWXTXQYSIIJQ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O=S(=O)(N)c1ccc(C(=O)NCCCCC)cc1
CACTVS 3.370CCCCCNC(=O)c1ccc(cc1)[S](N)(=O)=O
OpenEye OEToolkits 1.7.2CCCCCNC(=O)c1ccc(cc1)S(=O)(=O)N
Name:N-pentyl-4-sulfamoylbenzamide
ChEMBL: CHEMBL149507
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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