BioLiP

PDB

BioLiP

PDB CCD ID:

PZQ

Number of entries in BioLiP:

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:

Software	SMILES
CACTVS 3.341	O=C1CN(C[C@@H]2N1CCc3ccccc23)C(=O)C4CCCCC4
CACTVS 3.341	O=C1CN(C[CH]2N1CCc3ccccc23)C(=O)C4CCCCC4
OpenEye OEToolkits 1.5.0	c1ccc2c(c1)CCN3[C@H]2CN(CC3=O)C(=O)C4CCCCC4
OpenEye OEToolkits 1.5.0	c1ccc2c(c1)CCN3C2CN(CC3=O)C(=O)C4CCCCC4
ACDLabs 10.04	O=C4N2CCc1c(cccc1)C2CN(C(=O)C3CCCCC3)C4

Name:

PRAZIQUANTEL

ChEMBL:

CHEMBL1235551

DrugBank:

DB11749

ZINC:

ZINC000000000655

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).