BioLiP

PDB

BioLiP

PDB CCD ID:

HVG

Number of entries in BioLiP:

Chemical formula:

C10 H9 N O6

InChI:

InChI=1S/C10H9NO6/c11-7(10(16)17)4-1-2-5(8(12)13)6(3-4)9(14)15/h1-3,7H,11H2,(H,12,13)(H,14,15)(H,16,17)/t7-/m0/s1

InChIKey:

IJVMOGKBEVRBPP-ZETCQYMHSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	c1cc(c(cc1C(C(=O)O)N)C(=O)O)C(=O)O
CACTVS 3.385	N[CH](C(O)=O)c1ccc(C(O)=O)c(c1)C(O)=O
CACTVS 3.385	N[C@H](C(O)=O)c1ccc(C(O)=O)c(c1)C(O)=O
ACDLabs 12.01	C(=O)(O)c1ccc(cc1C(O)=O)C(C(O)=O)N
OpenEye OEToolkits 2.0.6	c1cc(c(cc1[C@@H](C(=O)O)N)C(=O)O)C(=O)O

Name:

4-[(S)-amino(carboxy)methyl]benzene-1,2-dicarboxylic acid;
(S)-3,4-Dicarboxyphenylglycine (DCPG)

ChEMBL:

CHEMBL143210

ZINC:

ZINC000002507637

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).