SEQ2FUN

BioLiP

PDB CCD ID: SHR
Number of entries in BioLiP: 9
Chemical formula: C11 H20 N2 O6
InChI: InChI=1S/C11H20N2O6/c12-7(10(16)17)3-1-2-6-13-8(11(18)19)4-5-9(14)15/h7-8,13H,1-6,12H2,(H,14,15)(H,16,17)(H,18,19)/t7-,8-/m0/s1
InChIKey: ZDGJAHTZVHVLOT-YUMQZZPRSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341N[C@@H](CCCCN[C@@H](CCC(O)=O)C(O)=O)C(O)=O
OpenEye OEToolkits 1.5.0C(CCN[C@@H](CCC(=O)O)C(=O)O)C[C@@H](C(=O)O)N
ACDLabs 10.04O=C(O)C(N)CCCCNC(C(=O)O)CCC(=O)O
OpenEye OEToolkits 1.5.0C(CCNC(CCC(=O)O)C(=O)O)CC(C(=O)O)N
CACTVS 3.341N[CH](CCCCN[CH](CCC(O)=O)C(O)=O)C(O)=O
Name:N-(5-AMINO-5-CARBOXYPENTYL)GLUTAMIC ACID
DrugBank: DB04207
ZINC: ZINC000001532666
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).