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BioLiP

PDB CCD ID: PZQ
Number of entries in BioLiP: 1
Chemical formula: C19 H24 N2 O2
InChI: InChI=1S/C19H24N2O2/c22-18-13-20(19(23)15-7-2-1-3-8-15)12-17-16-9-5-4-6-14(16)10-11-21(17)18/h4-6,9,15,17H,1-3,7-8,10-13H2/t17-/m0/s1
InChIKey: FSVJFNAIGNNGKK-KRWDZBQOSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341O=C1CN(C[C@@H]2N1CCc3ccccc23)C(=O)C4CCCCC4
CACTVS 3.341O=C1CN(C[CH]2N1CCc3ccccc23)C(=O)C4CCCCC4
OpenEye OEToolkits 1.5.0c1ccc2c(c1)CCN3[C@H]2CN(CC3=O)C(=O)C4CCCCC4
OpenEye OEToolkits 1.5.0c1ccc2c(c1)CCN3C2CN(CC3=O)C(=O)C4CCCCC4
ACDLabs 10.04O=C4N2CCc1c(cccc1)C2CN(C(=O)C3CCCCC3)C4
Name:PRAZIQUANTEL
ChEMBL: CHEMBL1235551
DrugBank: DB11749
ZINC: ZINC000000000655
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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