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BioLiP

PDB CCD ID: 72L
Number of entries in BioLiP: 2
Chemical formula: C23 H18 N6 O2 S
InChI: InChI=1S/C23H18N6O2S/c24-32(30,31)19-11-9-18(10-12-19)27-23-28-20(21-22(29-23)26-14-25-21)17-8-4-7-16(13-17)15-5-2-1-3-6-15/h1-14H,(H2,24,30,31)(H2,25,26,27,28,29)
InChIKey: FUGRWXRQJGJIER-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385N[S](=O)(=O)c1ccc(Nc2nc3nc[nH]c3c(n2)c4cccc(c4)c5ccccc5)cc1
OpenEye OEToolkits 2.0.5c1ccc(cc1)c2cccc(c2)c3c4c(nc[nH]4)nc(n3)Nc5ccc(cc5)S(=O)(=O)N
Name:4-[[6-(3-phenylphenyl)-7~{H}-purin-2-yl]amino]benzenesulfonamide
ChEMBL: CHEMBL4070391
ZINC: ZINC000584905004
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)(download the PDF file).
  • 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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