Reaction Details Report a problem with these data
Target
Cysteinyl leukotriene receptor 1
Ligand
BDBM50041344
Substrate
n/a
Meas. Tech.
ChEMBL_152998 (CHEMBL759482)
Ki
0.570000±n/a nM
Citation
Jacobs, RT; Bernstein, PR; Cronk, LA; Vacek, EP; Newcomb, LF; Aharony, D; Buckner, CK; Kusner, EJ Synthesis, structure-activity relationships, and pharmacological evaluation of a series of fluorinated 3-benzyl-5-indolecarboxamides: identification of 4-[[5-[((2R)-2-methyl-4,4,4-trifluorobutyl)carbamoyl]-1-methyl indol- 3-yl]methyl]-3-methoxy-N-[(2-methylphenyl)sulfonyl]benzamide, a potent, orall J Med Chem 37:1282-97 (1994) [PubMed] Article
More Info.:
Target
Name:
Cysteinyl leukotriene receptor 1
Synonyms:
CLTR1_CAVPO | CYSLTR1
Type:
Enzyme Catalytic Domain
Mol. Mass.:
39007.58
Organism:
GUINEA PIG
Description:
Leukotriene D4 0 GUINEA PIG::Q2NNR5
Residue:
340
Sequence:
MDETGNPTIPPASNNTCYDSIDDFRNQVYSTLYSMISVVGFFGNGFVLYVLVKTYHEKSAFQVYMINLAVADLLCVCTLPLRVAYYVHKGIWLFGDFLCRLSTYALYVNLYCSIFFMTAMSFFRCVAIVFPVQNISLVTQKKARLVCIAIWMFVILTSSPFLMANTYKDEKNNTKCFEPPQDNQAKNYVLILHYVSLFIGFIIPFITIIVCYTMIIFTLLKSSMKKNLSSRKRAIGMIIVVTAAFLVSFMPYHIQRTIHLHFLHNKTKPCDSILRMQKSVVITLSLAASNCCFDPLLYFFSGGNFRRRLSTIRKYSLSSMTYIPKKKTSLPQKGKDICKE
Inhibitor
Name:
BDBM50041344
Synonyms:
3-[2-Methoxy-4-(toluene-2-sulfonylaminocarbonyl)-benzyl]-1-methyl-1H-indole-5-carboxylic acid (4,4,4-trifluoro-2-methyl-butyl)-amide | CHEMBL24652
Type:
Small organic molecule
Emp. Form.:
C31H32F3N3O5S
Mol. Mass.:
615.663
SMILES:
COc1cc(ccc1Cc1cn(C)c2ccc(cc12)C(=O)NCC(C)CC(F)(F)F)C(=O)NS(=O)(=O)c1ccccc1C