BioLiP

PDB

BioLiP

PDB CCD ID:

58B

Number of entries in BioLiP:

Chemical formula:

C8 H15 N3 O4

InChI:

InChI=1S/C8H15N3O4/c1-4(9)8(15)11-5(7(10)14)2-3-6(12)13/h4-5H,2-3,9H2,1H3,(H2,10,14)(H,11,15)(H,12,13)/t4-,5+/m0/s1

InChIKey:

NKUHWWPUOXOIIR-CRCLSJGQSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.9.2	C[C@@H](C(=O)N[C@H](CCC(=O)O)C(=O)N)N
CACTVS 3.385	C[CH](N)C(=O)N[CH](CCC(O)=O)C(N)=O
ACDLabs 12.01	C(C(NC(C(N)C)=O)C(N)=O)CC(O)=O
OpenEye OEToolkits 1.9.2	CC(C(=O)NC(CCC(=O)O)C(=O)N)N
CACTVS 3.385	C[C@H](N)C(=O)N[C@H](CCC(O)=O)C(N)=O

Name:

L-alanyl-D-alpha-glutamine

ChEMBL:

CHEMBL1221945

ZINC:

ZINC000002560935

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).