BioLiP

PDB

BioLiP

PDB CCD ID:

85G

Number of entries in BioLiP:

Chemical formula:

C7 H14 N2 O3

InChI:

InChI=1S/C7H14N2O3/c1-2-9-6(10)4-3-5(8)7(11)12/h5H,2-4,8H2,1H3,(H,9,10)(H,11,12)/t5-/m0/s1

InChIKey:

DATAGRPVKZEWHA-YFKPBYRVSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	CCNC(=O)CCC(C(=O)O)N
CACTVS 3.385	CCNC(=O)CC[C@H](N)C(O)=O
OpenEye OEToolkits 2.0.6	CCNC(=O)CC[C@@H](C(=O)O)N
ACDLabs 12.01	NC(C(O)=O)CCC(NCC)=O
CACTVS 3.385	CCNC(=O)CC[CH](N)C(O)=O

Name:

N-ethyl-L-glutamine

ChEMBL:

CHEMBL3039113

DrugBank:

DB12444

ZINC:

ZINC000001532828

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).