Reaction Details  Report a problem with these data
Target
C-C chemokine receptor type 5
Ligand
BDBM313970
Substrate
n/a
Meas. Tech.
Calcium Flux Inhibition Experiment
IC50
5.14±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:
BDBM313970
Synonyms:
US10167299, Example 20
Type:
Small organic molecule
Emp. Form.:
C29H45N5OS
Mol. Mass.:
511.766
SMILES:
CCC1CCC(CC1)C(=O)N[C@@H](CCN1C2CCC1CC(C2)n1c(C)nnc1C(C)C)c1ccsc1 |r,wU:11.11,TLB:22:20:14:16.17,(-7.11,8.92,;-5.78,8.15,;-5.78,6.61,;-4.44,5.84,;-4.44,4.3,;-5.78,3.53,;-7.11,4.3,;-7.11,5.84,;-5.78,1.99,;-7.11,1.22,;-4.44,1.22,;-4.44,-.32,;-3.11,-1.09,;-1.77,-.32,;-.44,-1.09,;.65,-2.18,;.65,-3.72,;1.1,-2.63,;1.1,-1.09,;2.44,-.33,;3.53,-1.42,;1.99,-1.42,;4.3,-.08,;3.82,1.38,;2.49,2.15,;5.07,2.29,;6.31,1.38,;5.84,-.08,;6.61,-1.42,;5.84,-2.75,;8.15,-1.42,;-5.78,-1.09,;-7.24,-.61,;-8.15,-1.86,;-7.24,-3.11,;-5.78,-2.63,)|
Structure:
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