BioLiP

PDB

BioLiP

PDB CCD ID:

142

Number of entries in BioLiP:

Chemical formula:

C10 H14 N2 O4

InChI:

InChI=1S/C10H14N2O4/c1-10(12-11,9(15)16)5-6-2-3-7(13)8(14)4-6/h2-4,12-14H,5,11H2,1H3,(H,15,16)/t10-/m0/s1

InChIKey:

TZFNLOMSOLWIDK-JTQLQIEISA-N

SMILES:

Software	SMILES
CACTVS 3.341	C[C@@](Cc1ccc(O)c(O)c1)(NN)C(O)=O
ACDLabs 10.04	O=C(O)C(NN)(Cc1cc(O)c(O)cc1)C
CACTVS 3.341	C[C](Cc1ccc(O)c(O)c1)(NN)C(O)=O
OpenEye OEToolkits 1.5.0	CC(Cc1ccc(c(c1)O)O)(C(=O)O)NN
OpenEye OEToolkits 1.5.0	C[C@](Cc1ccc(c(c1)O)O)(C(=O)O)NN

Name:

CARBIDOPA;
KINSON;
3-(3,4-DIHYDROXY-PHENYL)-2-HYDRAZINO-2-METHYL-PROPIONIC ACID

ChEMBL:

CHEMBL1201236

DrugBank:

DB00190

ZINC:

ZINC000019168887

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).