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BioLiP

PDB CCD ID: QOG
Number of entries in BioLiP: 3
Chemical formula: C6 H11 N5 O3 S2
InChI: InChI=1S/C6H11N5O3S2/c1-3(2)8-4(12)9-5-10-11-6(15-5)16(7,13)14/h3H,1-2H3,(H2,7,13,14)(H2,8,9,10,12)
InChIKey: YLZWSQAIKQWBTO-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CC(C)NC(=O)Nc1nnc(s1)S(=O)(=O)N
CACTVS 3.385CC(C)NC(=O)Nc1sc(nn1)[S](N)(=O)=O
ACDLabs 12.01C(C)(C)NC(=O)Nc1sc(S(N)(=O)=O)nn1
Name:5-{[(propan-2-yl)carbamoyl]amino}-1,3,4-thiadiazole-2-sulfonamide
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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