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BioLiP

PDB CCD ID: P9L
Number of entries in BioLiP: 1
Chemical formula: C14 H19 N3 O4 S
InChI: InChI=1S/C14H19N3O4S/c1-15-10-11-9-12(3-4-13(11)16(2)14(15)18)22(19,20)17-5-7-21-8-6-17/h3-4,9H,5-8,10H2,1-2H3
InChIKey: LFBDSGLXLXJATE-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.9.2CN1Cc2cc(ccc2N(C1=O)C)S(=O)(=O)N3CCOCC3
CACTVS 3.385CN1Cc2cc(ccc2N(C)C1=O)[S](=O)(=O)N3CCOCC3
ACDLabs 12.01O=S(=O)(N1CCOCC1)c3cc2c(N(C(=O)N(C)C2)C)cc3
Name:1,3-dimethyl-6-(morpholin-4-ylsulfonyl)-3,4-dihydroquinazolin-2(1H)-one
ChEMBL: CHEMBL1950957
ZINC: ZINC000001422669
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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