Reaction Details Report a problem with these data
Target
C-C chemokine receptor type 3
Ligand
BDBM50117474
Substrate
n/a
Meas. Tech.
ChEMBL_49848 (CHEMBL660813)
IC50
1±n/a nM
Citation
 De Lucca, GV; Kim, UT; Johnson, C; Vargo, BJ; Welch, PK; Covington, M; Davies, P; Solomon, KA; Newton, RC; Trainor, GL; Decicco, CP; Ko, SS Discovery and structure-activity relationship of N-(ureidoalkyl)-benzyl-piperidines as potent small molecule CC chemokine receptor-3 (CCR3) antagonists. J Med Chem 45:3794-804 (2002) [PubMed]  Article 
Target
Name:
C-C chemokine receptor type 3
Synonyms:
C-C CKR-3 | C-C chemokine receptor type 3 (CCR3) | CC-CKR-3 | CCR-3 | CCR3 | CCR3_HUMAN | CD_antigen=CD193 | CKR3 | CMKBR3 | Eosinophil eotaxin receptor
Type:
Enzyme
Mol. Mass.:
41053.88
Organism:
Homo sapiens (Human)
Description:
P51677
Residue:
355
Sequence:
MTTSLDTVETFGTTSYYDDVGLLCEKADTRALMAQFVPPLYSLVFTVGLLGNVVVVMILIKYRRLRIMTNIYLLNLAISDLLFLVTLPFWIHYVRGHNWVFGHGMCKLLSGFYHTGLYSEIFFIILLTIDRYLAIVHAVFALRARTVTFGVITSIVTWGLAVLAALPEFIFYETEELFEETLCSALYPEDTVYSWRHFHTLRMTIFCLVLPLLVMAICYTGIIKTLLRCPSKKKYKAIRLIFVIMAVFFIFWTPYNVAILLSSYQSILFGNDCERSKHLDLVMLVTEVIAYSHCCMNPVIYAFVGERFRKYLRHFFHRHLLMHLGRYIPFLPSEKLERTSSVSPSTAEPELSIVF
  
Inhibitor
Name:
BDBM50117474
Synonyms:
1-{6-[3-(3-Acetyl-phenyl)-ureido]-benzo[1,3]dioxol-5-ylmethyl}-4-(4-fluoro-benzyl)-1-methyl-piperidinium; iodide | CHEMBL419599
Type:
Small organic molecule
Emp. Form.:
C30H33FN3O4
Mol. Mass.:
518.5986
SMILES:
CC(=O)c1cccc(NC(=O)Nc2cc3OCOc3cc2C[N+]2(C)CCC(Cc3ccc(F)cc3)CC2)c1 |(.22,-10.86,;-1.12,-10.09,;-2.46,-10.86,;-1.13,-8.54,;-2.45,-7.78,;-2.45,-6.24,;-1.12,-5.47,;.22,-6.24,;1.55,-5.49,;2.89,-6.26,;2.88,-7.79,;4.23,-5.49,;4.23,-3.95,;2.91,-3.17,;2.91,-1.63,;1.6,-.85,;2.35,.7,;4.27,.66,;4.25,-.88,;5.59,-1.65,;5.56,-3.2,;6.89,-3.97,;8.21,-3.21,;8.61,-4.7,;9.55,-3.98,;10.9,-3.22,;10.88,-1.69,;12.22,-.92,;13.56,-1.67,;13.56,-3.22,;14.89,-3.99,;16.23,-3.22,;17.57,-3.99,;16.23,-1.67,;14.89,-.91,;9.55,-.9,;8.23,-1.67,;.2,-7.78,)|
Structure:
Search PDB for entries with ligand similarity: