BioLiP

PDB

BioLiP

PDB CCD ID:

8DM

Number of entries in BioLiP:

Chemical formula:

C12 H14 N2 O5

InChI:

InChI=1S/C12H14N2O5/c13-8-3-1-7(2-4-8)11(17)14-9(12(18)19)5-6-10(15)16/h1-4,9H,5-6,13H2,(H,14,17)(H,15,16)(H,18,19)/t9-/m0/s1

InChIKey:

GADGMZDHLQLZRI-VIFPVBQESA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)N
CACTVS 3.385	Nc1ccc(cc1)C(=O)N[CH](CCC(O)=O)C(O)=O
CACTVS 3.385	Nc1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O
ACDLabs 12.01	c1(ccc(cc1)C(NC(C(=O)O)CCC(O)=O)=O)N
OpenEye OEToolkits 2.0.6	c1cc(ccc1C(=O)NC(CCC(=O)O)C(=O)O)N

Name:

N-(4-aminobenzene-1-carbonyl)-L-glutamic acid

ChEMBL:

CHEMBL3278332

ZINC:

ZINC000001696610

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).