BioLiP

PDB

BioLiP

PDB CCD ID:

G1X

Number of entries in BioLiP:

Chemical formula:

C9 H9 N O4

InChI:

InChI=1S/C9H9NO4/c10-6(9(13)14)3-5-1-2-7(11)8(12)4-5/h1-2,4,6H,3,10H2,(H,13,14)/t6-/m0/s1

InChIKey:

AHMIDUVKSGCHAU-LURJTMIESA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	C1=CC(=O)C(=O)C=C1CC(C(=O)O)N
CACTVS 3.385	N[CH](CC1=CC(=O)C(=O)C=C1)C(O)=O
OpenEye OEToolkits 2.0.7	C1=CC(=O)C(=O)C=C1C[C@@H](C(=O)O)N
CACTVS 3.385	N[C@@H](CC1=CC(=O)C(=O)C=C1)C(O)=O

Name:

(2S)-2-azanyl-3-[3,4-bis(oxidanylidene)cyclohexa-1,5-dien-1-yl]propanoic acid;
L-dopaquinone

ChEMBL:

CHEMBL4804065

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).