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BioLiP

PDB CCD ID: X94
Number of entries in BioLiP: 1
Chemical formula: C17 H28 N2 O5
InChI: InChI=1S/C17H28N2O5/c1-3-6-12(16(21)22)18-10(2)15(20)19-13-8-5-4-7-11(13)9-14(19)17(23)24/h10-14,18H,3-9H2,1-2H3,(H,21,22)(H,23,24)/t10-,11-,12-,13-,14-/m0/s1
InChIKey: ODAIHABQVKJNIY-PEDHHIEDSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.6.1CCCC(C(=O)O)NC(C)C(=O)N1C2CCCCC2CC1C(=O)O
OpenEye OEToolkits 1.6.1CCC[C@@H](C(=O)O)N[C@@H](C)C(=O)N1[C@H]2CCCC[C@H]2C[C@H]1C(=O)O
CACTVS 3.352CCC[CH](N[CH](C)C(=O)N1[CH]2CCCC[CH]2C[CH]1C(O)=O)C(O)=O
CACTVS 3.352CCC[C@H](N[C@@H](C)C(=O)N1[C@H]2CCCC[C@H]2C[C@H]1C(O)=O)C(O)=O
ACDLabs 10.04O=C(O)C(NC(C(=O)N1C(C(=O)O)CC2CCCCC12)C)CCC
Name:PERINDOPRILAT
ChEMBL: CHEMBL1201368
DrugBank: DB14213
ZINC: ZINC000004217270
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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