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BioLiP

PDB CCD ID: 142
Number of entries in BioLiP: 7
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:
SoftwareSMILES
CACTVS 3.341C[C@@](Cc1ccc(O)c(O)c1)(NN)C(O)=O
ACDLabs 10.04O=C(O)C(NN)(Cc1cc(O)c(O)cc1)C
CACTVS 3.341C[C](Cc1ccc(O)c(O)c1)(NN)C(O)=O
OpenEye OEToolkits 1.5.0CC(Cc1ccc(c(c1)O)O)(C(=O)O)NN
OpenEye OEToolkits 1.5.0C[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, Peter L 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).

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