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BioLiP

PDB CCD ID: SCZ
Number of entries in BioLiP: 1
Chemical formula: C21 H19 N5
InChI: InChI=1S/C21H19N5/c1-2-6-17(7-3-1)19-11-20(23-13-15-5-4-10-22-12-15)26-21(25-19)18(14-24-26)16-8-9-16/h1-7,10-12,14,16,23H,8-9,13H2
InChIKey: CCDIUVLNHCGSMH-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1ccc(cc1)c2cc(n3c(n2)c(cn3)C4CC4)NCc5cccnc5
CACTVS 3.341C1CC1c2cnn3c(NCc4cccnc4)cc(nc23)c5ccccc5
ACDLabs 10.04n1c(cc(n2ncc(c12)C3CC3)NCc4cccnc4)c5ccccc5
Name:3-cyclopropyl-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
ChEMBL: CHEMBL249736
DrugBank: DB08539
ZINC: ZINC000028958727
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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