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BioLiP

PDB CCD ID: EM6
Number of entries in BioLiP: 1
Chemical formula: C10 H10 N4 O
InChI: InChI=1S/C10H10N4O/c1-3-8-6(2)13-9-7(4-11)5-12-14(9)10(8)15/h5,12H,3H2,1-2H3
InChIKey: PJIRQIUNBLUWJK-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6CCC1=C(N=C2C(=CNN2C1=O)C#N)C
CACTVS 3.385CCC1=C(C)N=C2N(NC=C2C#N)C1=O
Name:6-ethyl-5-methyl-7-oxidanylidene-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
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)(download the PDF file).
  • 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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