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BioLiP

PDB CCD ID: QU3
Number of entries in BioLiP: 1
Chemical formula: C13 H15 N5 O4 S
InChI: InChI=1S/C13H15N5O4S/c1-15-23(20,21)11-4-8(7-22-11)12(19)18-3-2-10-9(6-18)5-16-13(14)17-10/h4-5,7,15H,2-3,6H2,1H3,(H2,14,16,17)
InChIKey: IPBSEFPXJIGJOL-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CNS(=O)(=O)c1cc(co1)C(=O)N2CCc3c(cnc(n3)N)C2
CACTVS 3.385CN[S](=O)(=O)c1occ(c1)C(=O)N2CCc3nc(N)ncc3C2
ACDLabs 12.01O=C(c1coc(c1)S(=O)(=O)NC)N1Cc2cnc(N)nc2CC1
Name:4-(2-amino-7,8-dihydropyrido[4,3-d]pyrimidine-6(5H)-carbonyl)-N-methylfuran-2-sulfonamide
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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