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BioLiP

PDB CCD ID: RYY
Number of entries in BioLiP: 2
Chemical formula: C10 H14 N2 O3 S
InChI: InChI=1S/C10H14N2O3S/c1-2-7-12-10(13)8-3-5-9(6-4-8)16(11,14)15/h3-6H,2,7H2,1H3,(H,12,13)(H2,11,14,15)
InChIKey: YWNDDZRHHBUBPB-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370CCCNC(=O)c1ccc(cc1)[S](N)(=O)=O
ACDLabs 12.01O=S(=O)(N)c1ccc(C(=O)NCCC)cc1
OpenEye OEToolkits 1.7.2CCCNC(=O)c1ccc(cc1)S(=O)(=O)N
Name:N-propyl-4-sulfamoylbenzamide
ChEMBL: CHEMBL74090
ZINC: ZINC000001748006
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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