Reaction Details Report a problem with these data
Target
C-C chemokine receptor-like 2
Ligand
BDBM163485
Substrate
n/a
Meas. Tech.
Receptor Binding Assay
IC50
37±n/a nM
Citation
 Lanter, JC; Markotan, TP; Subasinghe, N; Sui, Z Cyclohexyl-azetidinyl antagonists of CCR2 US Patent  US9062048 Publication Date 6/23/2015 
Target
Name:
C-C chemokine receptor-like 2
Synonyms:
CCR11 | CCR6 | CCRL2 | CCRL2_HUMAN | CKRX | CRAM | HCR | Monocyte chemotactic protein-1 (MCP-1)
Type:
Protein
Mol. Mass.:
39518.98
Organism:
Homo sapiens (Human)
Description:
O00421
Residue:
344
Sequence:
MANYTLAPEDEYDVLIEGELESDEAEQCDKYDAQALSAQLVPSLCSAVFVIGVLDNLLVVLILVKYKGLKRVENIYLLNLAVSNLCFLLTLPFWAHAGGDPMCKILIGLYFVGLYSETFFNCLLTVQRYLVFLHKGNFFSARRRVPCGIITSVLAWVTAILATLPEFVVYKPQMEDQKYKCAFSRTPFLPADETFWKHFLTLKMNISVLVLPLFIFTFLYVQMRKTLRFREQRYSLFKLVFAIMVVFLLMWAPYNIAFFLSTFKEHFSLSDCKSSYNLDKSVHITKLIATTHCCINPLLYAFLDGTFSKYLCRCFHLRSNTPLQPRGQSAQGTSREEPDHSTEV
  
Inhibitor
Name:
BDBM163485
Synonyms:
US9062048, 111
Type:
Small organic molecule
Emp. Form.:
C23H29F3N6O2
Mol. Mass.:
478.5106
SMILES:
CC(=O)NC[C@H]1CC[C@H](CC1)N1CC(C1)NC(=O)CNc1ncnc2ccc(cc12)C(F)(F)F |r,wU:5.4,8.11,(-10.28,-2.08,;-8.95,-2.85,;-8.95,-4.39,;-7.61,-2.08,;-7.61,-.54,;-6.28,.23,;-6.28,1.77,;-4.94,2.54,;-3.61,1.77,;-3.61,.23,;-4.94,-.54,;-2.28,2.54,;-.79,2.14,;-.39,3.62,;-1.88,4.02,;.94,4.39,;2.28,3.62,;3.61,4.39,;2.28,2.08,;3.61,1.31,;3.61,-.23,;2.28,-1,;2.28,-2.54,;3.61,-3.31,;4.94,-2.54,;6.28,-3.31,;7.61,-2.54,;7.61,-1,;6.28,-.23,;4.94,-1,;8.95,-.23,;10.28,.54,;9.72,-1.56,;8.18,1.11,)|
Structure:
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