SEQ2FUN

BioLiP

PDB CCD ID: UN3
Number of entries in BioLiP: 1
Chemical formula: C10 H11 N3 O3 S
InChI: InChI=1S/C10H11N3O3S/c1-13-10(12-17(14,15)16)7-9(11-13)8-5-3-2-4-6-8/h2-7,12H,1H3,(H,14,15,16)
InChIKey: OTZLVSGSRPNRFT-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04O=S(=O)(O)Nc1cc(nn1C)c2ccccc2
OpenEye OEToolkits 1.5.0Cn1c(cc(n1)c2ccccc2)NS(=O)(=O)O
CACTVS 3.341Cn1nc(cc1N[S](O)(=O)=O)c2ccccc2
Name:(2-METHYL-5-PHENYL-2H-PYRAZOL-3-YL)-SULFAMIC ACID;
1-METHYL-3-PHENYL-1H-PYRAZOL-5-YLSULFAMIC ACID
DrugBank: DB04800
ZINC: ZINC000012504518
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia 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).