Reaction Details Report a problem with these data
Target
Monocarboxylate transporter 1
Ligand
BDBM21997
Substrate
BDBM21986
Meas. Tech.
Radioligand Filter Binding Assay
pH
7.8±n/a
Temperature
295.15±n/a K
Ki
1.7±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:
BDBM21997
Synonyms:
5-{[(4S)-4-hydroxy-1,2-oxazolidin-2-yl]carbonyl}-3-methyl-6-{[2-(methylamino)-1H-1,3-benzodiazol-1-yl]methyl}-1-(2-methylpropyl)-1H,2H,3H,4H-thieno[2,3-d]pyrimidine-2,4-dione | Thienopyrimidine-2,4-dione, 12
Type:
Small organic molecule
Emp. Form.:
C24H28N6O5S
Mol. Mass.:
512.581
SMILES:
CNc1nc2ccccc2n1Cc1sc2n(CC(C)C)c(=O)n(C)c(=O)c2c1C(=O)N1C[C@H](O)CO1 |r|
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: