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Target
C-C chemokine receptor type 5
Ligand
BDBM50558604
Substrate
n/a
Meas. Tech.
ChEMBL_2064099 (CHEMBL4719352)
Ki
239±n/a nM
Citation
 Arnatt, CK; Falls, BA; Yuan, Y; Raborg, TJ; Masvekar, RR; El-Hage, N; Selley, DE; Nicola, AV; Knapp, PE; Hauser, KF; Zhang, Y Exploration of bivalent ligands targeting putative mu opioid receptor and chemokine receptor CCR5 dimerization. Bioorg Med Chem 24:5969-5987 (2016) [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:
BDBM50558604
Synonyms:
CHEMBL4748891
Type:
Small organic molecule
Emp. Form.:
C64H90F2N10O10
Mol. Mass.:
1197.4572
SMILES:
[H][C@]12CC[C@]([H])(C[C@@H](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:9:7:18:3.2,83:82:65:87.70.69,19:18:6.7.8:3.2|
Structure:
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