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BioLiP

PDB CCD ID: XXK
Number of entries in BioLiP: 1
Chemical formula: C19 H17 N5 O3
InChI: InChI=1S/C19H17N5O3/c20-12-8-11(9-13(25)10-12)17-22-15-14-2-1-3-21-19(14)27-16(15)18(23-17)24-4-6-26-7-5-24/h1-3,8-10,25H,4-7,20H2
InChIKey: GLRIVBFMSWURTM-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1cc2c3c(c(nc(n3)c4cc(cc(c4)O)N)N5CCOCC5)oc2nc1
CACTVS 3.370Nc1cc(O)cc(c1)c2nc(N3CCOCC3)c4oc5ncccc5c4n2
ACDLabs 12.01n1c(nc3c4cccnc4oc3c1N2CCOCC2)c5cc(N)cc(O)c5
Name:3-amino-5-[4-(morpholin-4-yl)pyrido[3',2':4,5]furo[3,2-d]pyrimidin-2-yl]phenol
ChEMBL: CHEMBL3109185
ZINC: ZINC000095920801
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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