SEQ2FUN

BioLiP

PDB CCD ID: FE5
Number of entries in BioLiP: 1
Chemical formula: C15 H15 N7 O
InChI: InChI=1S/C15H15N7O/c1-7(2)22-14-11(13(16)18-6-19-14)12(21-22)8-3-4-10-9(5-8)20-15(17)23-10/h3-7H,1-2H3,(H2,17,20)(H2,16,18,19)
InChIKey: GYLDXIAOMVERTK-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6CC(C)n1c2c(c(n1)c3ccc4c(c3)nc(o4)N)c(ncn2)N
CACTVS 3.385CC(C)n1nc(c2ccc3oc(N)nc3c2)c4c(N)ncnc14
Name:5-(4-azanyl-1-propan-2-yl-pyrazolo[3,4-d]pyrimidin-3-yl)-1,3-benzoxazol-2-amine
ChEMBL: CHEMBL3545097
DrugBank: DB11836
ZINC: ZINC000073069271
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia 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).