SEQ2FUN

BioLiP

PDB CCD ID: PDM
Number of entries in BioLiP: 2
Chemical formula: C14 H16 N2 O5
InChI: InChI=1S/C14H16N2O5/c17-11(5-8-14(20)21)15-9-1-3-10(4-2-9)16-12(18)6-7-13(16)19/h1-4,11,15,17H,5-8H2,(H,20,21)/t11-/m0/s1
InChIKey: SUETUOGYOWOLNJ-NSHDSACASA-N
SMILES:
SoftwareSMILES
CACTVS 3.341O[CH](CCC(O)=O)Nc1ccc(cc1)N2C(=O)CCC2=O
OpenEye OEToolkits 1.5.0c1cc(ccc1NC(CCC(=O)O)O)N2C(=O)CCC2=O
CACTVS 3.341O[C@@H](CCC(O)=O)Nc1ccc(cc1)N2C(=O)CCC2=O
ACDLabs 10.04O=C(O)CCC(O)Nc1ccc(cc1)N2C(=O)CCC2=O
Name:4-[4-(2,5-DIOXO-PYRROLIDIN-1-YL)-PHENYLAMINO]-4-HYDROXY-BUTYRIC ACID;
PARA-PHENYL DIMALEMIDE
DrugBank: DB08378
ZINC: ZINC000033396944
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).