Reaction Details Report a problem with these data
Target
C-C chemokine receptor type 5
Ligand
BDBM50583787
Substrate
n/a
Meas. Tech.
ChEMBL_2158155 (CHEMBL5042905)
Ki
2.4±n/a nM
Citation
 Huang, B; Wang, H; Zheng, Y; Li, M; Kang, G; Barreto-de-Souza, V; Nassehi, N; Knapp, PE; Selley, DE; Hauser, KF; Zhang, Y Structure-Based Design and Development of Chemical Probes Targeting Putative MOR-CCR5 Heterodimers to Inhibit Opioid Exacerbated HIV-1 Infectivity. J Med Chem 64:7702-7723 (2021) [PubMed]  Article 
Target
Name:
C-C chemokine receptor type 5
Synonyms:
C-C CKR-5 | CC-CKR-5 | CCR-5 | CCR5 | CCR5_MACFA | CD_antigen=CD195 | CMKBR5
Type:
PROTEIN
Mol. Mass.:
40522.13
Organism:
Macaca fascicularis
Description:
ChEMBL_462626
Residue:
352
Sequence:
MDYQVSSPTYDIDYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNILVVLILINCKRLKSMTDIYLLNLAISDLLFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAIVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQREGLHYTCSSHFPYSQYQFWKNFQTLKMVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL
  
Inhibitor
Name:
BDBM50583787
Synonyms:
CHEMBL5071060
Type:
Small organic molecule
Emp. Form.:
C64H90F2N10O10
Mol. Mass.:
1197.4572
SMILES:
[H][C@]12CC[C@]([H])(CC(C1)n1c(C)nnc1C(C)C)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccc(NC(=O)COCC(=O)NCCCCCCCNC(=O)COCC(=O)N[C@@H]2CC[C@@]3(O)[C@@]4([H])Cc5ccc(O)c6O[C@]2([H])[C@]3(CCN4CC2CC2)c56)cc1 |r,TLB:19:18:7.6.8:2.3,83:82:70.87.69:65|
Structure:
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