Reaction Details Report a problem with these data
Target
Monocarboxylate transporter 1
Ligand
BDBM21993
Substrate
BDBM21986
Meas. Tech.
Radioligand Filter Binding Assay
pH
7.8±n/a
Temperature
295.15±n/a K
Ki
3.2±n/a nM
Citation
 Guile, SD; Bantick, JR; Cooper, ME; Donald, DK; Eyssade, C; Ingall, AH; Lewis, RJ; Martin, BP; Mohammed, RT; Potter, TJ; Reynolds, RH; St-Gallay, SA; Wright, AD Optimization of monocarboxylate transporter 1 blockers through analysis and modulation of atropisomer interconversion properties. J Med Chem 50:254-63 (2007) [PubMed]  Article 
Target
Name:
Monocarboxylate transporter 1
Synonyms:
MCT 1 | MCT1 | MOT1_HUMAN | Monocarboxylate transporter 1 | SLC16A1 | Solute carrier family 16 member 1
Type:
PROTEIN
Mol. Mass.:
53956.64
Organism:
Homo sapiens (Human)
Description:
ChEMBL_1451367
Residue:
500
Sequence:
MPPAVGGPVGYTPPDGGWGWAVVIGAFISIGFSYAFPKSITVFFKEIEGIFHATTSEVSWISSIMLAVMYGGGPISSILVNKYGSRIVMIVGGCLSGCGLIAASFCNTVQQLYVCIGVIGGLGLAFNLNPALTMIGKYFYKRRPLANGLAMAGSPVFLCTLAPLNQVFFGIFGWRGSFLILGGLLLNCCVAGALMRPIGPKPTKAGKDKSKASLEKAGKSGVKKDLHDANTDLIGRHPKQEKRSVFQTINQFLDLTLFTHRGFLLYLSGNVIMFFGLFAPLVFLSSYGKSQHYSSEKSAFLLSILAFVDMVARPSMGLVANTKPIRPRIQYFFAASVVANGVCHMLAPLSTTYVGFCVYAGFFGFAFGWLSSVLFETLMDLVGPQRFSSAVGLVTIVECCPVLLGPPLLGRLNDMYGDYKYTYWACGVVLIISGIYLFIGMGINYRLLAKEQKANEQKKESKEEETSIDVAGKPNEVTKAAESPDQKDTDGGPKEEESPV
  
Inhibitor
Name:
BDBM21993
Synonyms:
6-[(4,5-dichloro-2-methyl-1H-imidazol-1-yl)methyl]-N-methoxy-N,3-dimethyl-1-(2-methylpropyl)-2,4-dioxo-1H,2H,3H,4H-thieno[2,3-d]pyrimidine-5-carboxamide | Thienopyrimidine-2,4-dione, 8
Type:
Small organic molecule
Emp. Form.:
C19H23Cl2N5O4S
Mol. Mass.:
488.388
SMILES:
CON(C)C(=O)c1c(Cn2c(C)nc(Cl)c2Cl)sc2n(CC(C)C)c(=O)n(C)c(=O)c12
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
BDBM21986
Synonyms:
5-[(3-hydroxypropyl)sulfanyl]-3-methyl-1-(2-methylpropyl)-6-(naphthalen-1-ylmethyl)-1H,2H,3H,4H,6H-pyrrolo[3,4-d]pyrimidine-2,4-dione | 5-[(3-hydroxypropyl)sulfanyl]-3-methyl-1-(2-methylpropyl)-6-(naphthalen-1-ylmethyl)-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione | CHEMBL85752 | Pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione, 1 | [3H]-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
Type:
n/a
Emp. Form.:
C25H29N3O3S
Mol. Mass.:
451.581
SMILES:
CC(C)Cn1c2cn(Cc3cccc4ccccc34)c(SCCCO)c2c(=O)n(C)c1=O
Structure:
Search PDB for entries with ligand similarity: