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BioLiP

PDB CCD ID: PQC
Number of entries in BioLiP: 2
Chemical formula: C22 H16 N4 O2 S2
InChI: InChI=1S/C22H16N4O2S2/c23-30(27,28)17-8-4-7-16(11-17)25-22-24-13-15-9-10-19-18(21(15)26-22)12-20(29-19)14-5-2-1-3-6-14/h1-13H,(H2,23,27,28)(H,24,25,26)
InChIKey: ZSSGEBJSMMYEMX-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O=S(=O)(N)c1cccc(c1)Nc2nc4c(cn2)ccc3sc(cc34)c5ccccc5
OpenEye OEToolkits 1.7.2c1ccc(cc1)c2cc3c(s2)ccc4c3nc(nc4)Nc5cccc(c5)S(=O)(=O)N
CACTVS 3.370N[S](=O)(=O)c1cccc(Nc2ncc3ccc4sc(cc4c3n2)c5ccccc5)c1
Name:3-[(8-phenylthieno[2,3-h]quinazolin-2-yl)amino]benzenesulfonamide
ZINC: ZINC000066165940
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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