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BioLiP

PDB CCD ID: 31F
Number of entries in BioLiP: 2
Chemical formula: C14 H11 N3 O3 S
InChI: InChI=1S/C14H11N3O3S/c15-21(19,20)10-7-5-9(6-8-10)13-16-12-4-2-1-3-11(12)14(18)17-13/h1-8H,(H2,15,19,20)(H,16,17,18)
InChIKey: OMUIDCNIRWVPSK-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O=S(=O)(N)c3ccc(C2=Nc1c(cccc1)C(=O)N2)cc3
CACTVS 3.385N[S](=O)(=O)c1ccc(cc1)C2=Nc3ccccc3C(=O)N2
OpenEye OEToolkits 1.9.2c1ccc2c(c1)C(=O)NC(=N2)c3ccc(cc3)S(=O)(=O)N
Name:4-(4-oxidanylidene-3H-quinazolin-2-yl)benzenesulfonamide
ChEMBL: CHEMBL5277753
ZINC: ZINC000044978322
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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