Reaction Details Report a problem with these data
Target
C-C chemokine receptor-like 2
Ligand
BDBM163581
Substrate
n/a
Meas. Tech.
Receptor Binding Assay
IC50
>25000±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:
BDBM163581
Synonyms:
US9062048, 163 | US9062048, 164
Type:
Small organic molecule
Emp. Form.:
C25H25F3N6O2S
Mol. Mass.:
530.565
SMILES:
OC1(CCN(CC1)[C@H]1C[C@@H](C1)NC(=O)CNc1cc(nc2ccc(cc12)C(F)(F)F)[N+]#[C-])c1cncs1 |r,wU:7.7,wD:9.12,(8.2,-5.65,;6.86,-6.42,;6.09,-7.76,;4.55,-7.76,;3.78,-6.42,;4.55,-5.09,;6.09,-5.09,;2.24,-6.42,;1.15,-7.51,;.07,-6.42,;1.15,-5.33,;-1.47,-6.42,;-2.24,-5.09,;-1.47,-3.76,;-3.78,-5.09,;-4.55,-3.76,;-6.09,-3.76,;-6.86,-2.42,;-8.43,-2.37,;-9.18,-3.76,;-8.41,-5.09,;-9.18,-6.42,;-8.41,-7.76,;-6.87,-7.76,;-6.1,-6.42,;-6.87,-5.09,;-6.1,-9.09,;-5.33,-10.42,;-7.43,-9.86,;-4.76,-8.32,;-9.2,-1.04,;-9.97,.29,;8.2,-7.19,;9.66,-6.72,;10.57,-7.96,;9.66,-9.21,;8.2,-8.73,)|
Structure:
Search PDB for entries with ligand similarity: