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BioLiP

PDB CCD ID: UUP
Number of entries in BioLiP: 2
Chemical formula: C10 H10 N4 O
InChI: InChI=1S/C10H10N4O/c15-10(13-7-2-3-7)8-6-12-14-5-1-4-11-9(8)14/h1,4-7H,2-3H2,(H,13,15)
InChIKey: IDVABKGFSZEUEE-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cnc2c(cnn2c1)C(=O)NC3CC3
ACDLabs 12.01n1n3cccnc3c(c1)C(NC2CC2)=O
CACTVS 3.385O=C(NC1CC1)c2cnn3cccnc23
Name:N-cyclopropylpyrazolo[1,5-a]pyrimidine-3-carboxamide
ZINC: ZINC000043522977
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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