SEQ2FUN

BioLiP

PDB CCD ID: EAL
Number of entries in BioLiP: 2
Chemical formula: C18 H24 N2 O5
InChI: InChI=1S/C18H24N2O5/c1-12(16(21)20-11-5-8-15(20)18(24)25)19-14(17(22)23)10-9-13-6-3-2-4-7-13/h2-4,6-7,12,14-15,19H,5,8-11H2,1H3,(H,22,23)(H,24,25)/t12-,14-,15-/m0/s1
InChIKey: LZFZMUMEGBBDTC-QEJZJMRPSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC(C(=O)N1CCCC1C(=O)O)NC(CCc2ccccc2)C(=O)O
CACTVS 3.341C[CH](N[CH](CCc1ccccc1)C(O)=O)C(=O)N2CCC[CH]2C(O)=O
ACDLabs 10.04O=C(O)C2N(C(=O)C(NC(C(=O)O)CCc1ccccc1)C)CCC2
CACTVS 3.341C[C@H](N[C@@H](CCc1ccccc1)C(O)=O)C(=O)N2CCC[C@H]2C(O)=O
OpenEye OEToolkits 1.5.0C[C@@H](C(=O)N1CCC[C@H]1C(=O)O)N[C@@H](CCc2ccccc2)C(=O)O
Name:1-((2S)-2-{[(1S)-1-CARBOXY-3-PHENYLPROPYL]AMINO}PROPANOYL)-L-PROLINE;
ENALAPRILAT INHIBITOR
ChEMBL: CHEMBL577
DrugBank: DB09477
ZINC: ZINC000003812851
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).