SEQ2FUN

BioLiP

PDB CCD ID: K1G
Number of entries in BioLiP: 8
Chemical formula: C10 H15 N5
InChI: InChI=1S/C10H15N5/c1-7(2)14(3)9-8-5-13-15(4)10(8)12-6-11-9/h5-7H,1-4H3
InChIKey: ACQZDWVVKAKBAO-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01n1cnc2n(C)ncc2c1N(C)C(C)C
CACTVS 3.385CC(C)N(C)c1ncnc2n(C)ncc12
OpenEye OEToolkits 2.0.6CC(C)N(C)c1c2cnn(c2ncn1)C
Name:N,1-dimethyl-N-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
ZINC: ZINC000001577349
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).