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BioLiP

PDB CCD ID: IWE
Number of entries in BioLiP: 3
Chemical formula: C12 H11 Cl N6 O2 S2
InChI: InChI=1S/C12H11ClN6O2S2/c13-9-5-10(15-6-7-2-1-3-22-7)8(12-16-18-19-17-12)4-11(9)23(14,20)21/h1-5,15H,6H2,(H2,14,20,21)(H,16,17,18,19)
InChIKey: HMEDEBAJARCKCT-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385N[S](=O)(=O)c1cc(c(NCc2sccc2)cc1Cl)c3[nH]nnn3
OpenEye OEToolkits 2.0.7c1cc(sc1)CNc2cc(c(cc2c3[nH]nnn3)S(=O)(=O)N)Cl
Name:Azosemide;
2-chloranyl-5-(1~{H}-1,2,3,4-tetrazol-5-yl)-4-(thiophen-2-ylmethylamino)benzenesulfonamide
ChEMBL: CHEMBL1097235
DrugBank: DB08961
ZINC: ZINC000005843546
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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