BioLiP

PDB

BioLiP

PDB CCD ID:

DAH

Number of entries in BioLiP:

Chemical formula:

C9 H11 N O4

InChI:

InChI=1S/C9H11NO4/c10-6(9(13)14)3-5-1-2-7(11)8(12)4-5/h1-2,4,6,11-12H,3,10H2,(H,13,14)/t6-/m0/s1

InChIKey:

WTDRDQBEARUVNC-LURJTMIESA-N

SMILES:

Software	SMILES
CACTVS 3.370	N[CH](Cc1ccc(O)c(O)c1)C(O)=O
ACDLabs 12.01	O=C(O)C(N)Cc1cc(O)c(O)cc1
OpenEye OEToolkits 1.7.2	c1cc(c(cc1C[C@@H](C(=O)O)N)O)O
CACTVS 3.370	N[C@@H](Cc1ccc(O)c(O)c1)C(O)=O
OpenEye OEToolkits 1.7.2	c1cc(c(cc1CC(C(=O)O)N)O)O

Name:

3,4-DIHYDROXYPHENYLALANINE;
L-DOPA

ChEMBL:

CHEMBL1009

DrugBank:

DB01235

ZINC:

ZINC000000895199

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).