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BioLiP

PDB CCD ID: 0VV
Number of entries in BioLiP: 4
Chemical formula: C8 H10 N4 O2 S
InChI: InChI=1S/C8H10N4O2S/c9-15(13,14)12-8-10-5-6-3-1-2-4-7(6)11-8/h1-4H,5H2,(H2,9,13,14)(H2,10,11,12)
InChIKey: NQQBFHZTZMKZCO-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1ccc2c(c1)CN/C(=N\S(=O)(=O)N)/N2
CACTVS 3.370N[S](=O)(=O)N=C1NCc2ccccc2N1
ACDLabs 12.01O=S(=O)(/N=C2/Nc1c(cccc1)CN2)N
OpenEye OEToolkits 1.7.6c1ccc2c(c1)CNC(=NS(=O)(=O)N)N2
Name:N-[(2E)-3,4-dihydroquinazolin-2(1H)-ylidene]sulfuric diamide
ZINC: ZINC000095921354
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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