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BioLiP

PDB CCD ID: HDT
Number of entries in BioLiP: 1
Chemical formula: C17 H14 N6 O2 S
InChI: InChI=1S/C17H14N6O2S/c18-26(24,25)13-6-4-12(5-7-13)21-17-19-9-8-14(22-17)15-11-20-16-3-1-2-10-23(15)16/h1-11H,(H2,18,24,25)(H,19,21,22)
InChIKey: NKORVPQBJCGYEC-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1ccn2c(c1)ncc2c3ccnc(n3)Nc4ccc(cc4)S(=O)(=O)N
CACTVS 3.341N[S](=O)(=O)c1ccc(Nc2nccc(n2)c3cnc4ccccn34)cc1
ACDLabs 10.04O=S(=O)(N)c1ccc(cc1)Nc2nccc(n2)c3cnc4ccccn34
Name:4-[(4-IMIDAZO[1,2-A]PYRIDIN-3-YLPYRIMIDIN-2-YL)AMINO]BENZENESULFONAMIDE
ChEMBL: CHEMBL73303
DrugBank: DB02197
ZINC: ZINC000001493866
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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