BindingDB logo
myBDB logout

BDBM37633 (2S)-2-amino-3-(4-hydroxy-3-iodo-phenyl)propionic acid::(2S)-2-amino-3-(4-hydroxy-3-iodophenyl)propanoic acid::(2S)-2-azanyl-3-(3-iodanyl-4-oxidanyl-phenyl)propanoic acid::3-IODO-L-TYROSINE::3-Iodo-L-tyrosine (I-Tyr)::MLS000069664::Monoiodotyrosine::SMR000059143::cid_439744

SMILES: N[C@@H](Cc1ccc(O)c(I)c1)C(O)=O

InChI Key: InChIKey=UQTZMGFTRHFAAM-ZETCQYMHSA-N

Data: 2 KI  4 IC50  2 Kd

PDB links: 25 PDB IDs match this monomer.

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 37633   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
fMet-Leu-Phe receptor 1/2


(Homo sapiens (human))
BDBM37633
PNG
((2S)-2-amino-3-(4-hydroxy-3-iodo-phenyl)propionic ...)
Show SMILES N[C@@H](Cc1ccc(O)c(I)c1)C(O)=O
Show InChI InChI=1S/C9H10INO3/c10-6-3-5(1-2-8(6)12)4-7(11)9(13)14/h1-3,7,12H,4,11H2,(H,13,14)/t7-/m0/s1
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

DrugBank
KEGG
PC cid
PC sid
PDB
UniChem

Patents


Similars

PCBioAssay
>4.03E+4n/an/an/an/an/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview Assay Support: NIH 1R03MH076381-01 Assay for Formylpeptide Receptor Family Ligands PI: Bruce S. Edwards, Ph....


Citation and Details
More data for this
Ligand-Target Pair
fMet-Leu-Phe receptor 1/2


(Homo sapiens)
BDBM37633
PNG
((2S)-2-amino-3-(4-hydroxy-3-iodo-phenyl)propionic ...)
Show SMILES N[C@@H](Cc1ccc(O)c(I)c1)C(O)=O
Show InChI InChI=1S/C9H10INO3/c10-6-3-5(1-2-8(6)12)4-7(11)9(13)14/h1-3,7,12H,4,11H2,(H,13,14)/t7-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
Purchase

DrugBank
KEGG
PC cid
PC sid
PDB
UniChem

Patents


Similars

PCBioAssay
>4.37E+4n/an/an/an/an/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH 1R03MH076381-01 Assay for Formylpeptide Receptor Family Ligands PI: Bruce S. Edwards, Ph...


Citation and Details
More data for this
Ligand-Target Pair
Iodotyrosine deiodinase (IYD)


(Homo sapiens (Human))
BDBM37633
PNG
((2S)-2-amino-3-(4-hydroxy-3-iodo-phenyl)propionic ...)
Show SMILES N[C@@H](Cc1ccc(O)c(I)c1)C(O)=O
Show InChI InChI=1S/C9H10INO3/c10-6-3-5(1-2-8(6)12)4-7(11)9(13)14/h1-3,7,12H,4,11H2,(H,13,14)/t7-/m0/s1
PDB

GoogleScholar
AffyNet 
Purchase

DrugBank
KEGG
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
Article
PubMed
n/an/an/a 90n/an/an/an/an/a



Johns Hopkins University



Assay Description
Dissociation constants (Kd) for the ligands of IYD were determined by their ability to quench the fluorescence of the oxidized FMN (FMNox) (λex ...


Biochemistry 56: 1130-1139 (2017)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Iodotyrosine deiodinase (IYD)


(Haliscomenobacter hydrossis)
BDBM37633
PNG
((2S)-2-amino-3-(4-hydroxy-3-iodo-phenyl)propionic ...)
Show SMILES N[C@@H](Cc1ccc(O)c(I)c1)C(O)=O
Show InChI InChI=1S/C9H10INO3/c10-6-3-5(1-2-8(6)12)4-7(11)9(13)14/h1-3,7,12H,4,11H2,(H,13,14)/t7-/m0/s1
PDB

GoogleScholar
AffyNet 
Purchase

DrugBank
KEGG
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/an/a 8.20E+3n/an/an/an/an/a



Johns Hopkins University



Assay Description
Dissociation constants (Kd) for the ligands of IYD were determined by their ability to quench the fluorescence of the oxidized FMN (FMNox) (λex ...


Biochemistry 56: 1130-1139 (2017)

More data for this
Ligand-Target Pair
Tyrosine 3-hydroxylase


(Rattus norvegicus)
BDBM37633
PNG
((2S)-2-amino-3-(4-hydroxy-3-iodo-phenyl)propionic ...)
Show SMILES N[C@@H](Cc1ccc(O)c(I)c1)C(O)=O
Show InChI InChI=1S/C9H10INO3/c10-6-3-5(1-2-8(6)12)4-7(11)9(13)14/h1-3,7,12H,4,11H2,(H,13,14)/t7-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

DrugBank
KEGG
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.40n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of rat tyrosine hydroxylase


Bioorg Med Chem 18: 7675-99 (2010)

More data for this
Ligand-Target Pair
fMet-Leu-Phe receptor 1/2


(Homo sapiens (human))
BDBM37633
PNG
((2S)-2-amino-3-(4-hydroxy-3-iodo-phenyl)propionic ...)
Show SMILES N[C@@H](Cc1ccc(O)c(I)c1)C(O)=O
Show InChI InChI=1S/C9H10INO3/c10-6-3-5(1-2-8(6)12)4-7(11)9(13)14/h1-3,7,12H,4,11H2,(H,13,14)/t7-/m0/s1
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

DrugBank
KEGG
PC cid
PC sid
PDB
UniChem

Patents


Similars

PCBioAssay
n/an/a>6.67E+4n/an/an/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview Assay Support: NIH 1R03MH076381-01 Assay for Formylpeptide Receptor Family Ligands PI: Bruce S. Edwards, Ph....


Citation and Details
More data for this
Ligand-Target Pair
fMet-Leu-Phe receptor 1/2


(Homo sapiens)
BDBM37633
PNG
((2S)-2-amino-3-(4-hydroxy-3-iodo-phenyl)propionic ...)
Show SMILES N[C@@H](Cc1ccc(O)c(I)c1)C(O)=O
Show InChI InChI=1S/C9H10INO3/c10-6-3-5(1-2-8(6)12)4-7(11)9(13)14/h1-3,7,12H,4,11H2,(H,13,14)/t7-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
Purchase

DrugBank
KEGG
PC cid
PC sid
PDB
UniChem

Patents


Similars

PCBioAssay
n/an/a>6.67E+4n/an/an/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH 1R03MH076381-01 Assay for Formylpeptide Receptor Family Ligands PI: Bruce S. Edwards, Ph...


Citation and Details
More data for this
Ligand-Target Pair
Genome polyprotein


(West Nile virus)
BDBM37633
PNG
((2S)-2-amino-3-(4-hydroxy-3-iodo-phenyl)propionic ...)
Show SMILES N[C@@H](Cc1ccc(O)c(I)c1)C(O)=O
Show InChI InChI=1S/C9H10INO3/c10-6-3-5(1-2-8(6)12)4-7(11)9(13)14/h1-3,7,12H,4,11H2,(H,13,14)/t7-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

DrugBank
KEGG
PC cid
PC sid
PDB
UniChem

Patents


Similars

PCBioAssay
n/an/a>5.00E+7n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The HTS assay to identify Inhibitors of West Nile Virus (WNV) NS2bNS3 Proteinase was proposed by Dr Alex Strongin of the Burnham Institute XO1-MH0776...


Citation and Details
More data for this
Ligand-Target Pair