Reaction Details Report a problem with these data
Target
C-C chemokine receptor type 5
Ligand
BDBM314011
Substrate
n/a
Meas. Tech.
Calcium Flux Inhibition Experiment
IC50
12.2±n/a nM
Citation
 Liu, H; Wu, B; Zheng, Y; Xie, X; Jiang, H; Peng, P; Luo, R; Li, J; Li, J; Zhu, Y; Chen, Y; Zhang, H; Yang, L; Zhou, Y; Chen, K 1-(3-aminopropyl) substituted cyclic amine compounds, preparation method therefor, and pharmaceutical compositions and uses thereof US Patent  US10167299 Publication Date 1/1/2019 
Target
Name:
C-C chemokine receptor type 5
Synonyms:
C-C CKR-5 | C-C chemokine receptor type 5 | CC-CKR-5 | CCR-5 | CCR5 | CCR5/mu opioid receptor complex | CCR5_HUMAN | CD_antigen=CD195 | CHEMR13 | CMKBR5 | HIV-1 fusion coreceptor
Type:
Enzyme
Mol. Mass.:
40540.21
Organism:
Homo sapiens (Human)
Description:
P51681
Residue:
352
Sequence:
MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL
  
Inhibitor
Name:
BDBM314011
Synonyms:
US10167299, Example 125
Type:
Small organic molecule
Emp. Form.:
C25H34ClN5O2S
Mol. Mass.:
504.088
SMILES:
CC(=O)N[C@@H](CCN1C2CCC1CC(C2)n1c(C)nc2CN(CCc12)C(C)=O)c1ccc(Cl)s1 |r,TLB:6:7:13.12.14:9.10,THB:15:13:7:9.10|
Structure:
Search PDB for entries with ligand similarity: