Reaction Details Report a problem with these data
Target
C-C chemokine receptor type 5
Ligand
BDBM50276259
Substrate
n/a
Meas. Tech.
ChEMBL_540889 (CHEMBL1026563)
IC50
1±n/a nM
Citation
 Pryde, DC; Corless, M; Fenwick, DR; Mason, HJ; Stammen, BC; Stephenson, PT; Ellis, D; Bachelor, D; Gordon, D; Barber, CG; Wood, A; Middleton, DS; Blakemore, DC; Parsons, GC; Eastwood, R; Platts, MY; Statham, K; Paradowski, KA; Burt, C; Klute, W The design and discovery of novel amide CCR5 antagonists. Bioorg Med Chem Lett 19:1084-8 (2009) [PubMed]  Article 
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:
BDBM50276259
Synonyms:
CHEMBL481068 | exo-N-benzyl-N-((R)-1-(8-(2,6-dimethylbenzoyl)-8-azabicyclo[3.2.1]octan-3-yl)pyrrolidin-3-yl)cyclopropanecarboxamide
Type:
Small organic molecule
Emp. Form.:
C31H39N3O2
Mol. Mass.:
485.6603
SMILES:
Cc1cccc(C)c1C(=O)N1[C@H]2CC[C@@H]1C[C@H](C2)N1CC[C@H](C1)N(Cc1ccccc1)C(=O)C1CC1 |r,THB:8:10:15.16.17:12.13|
Structure:
Search PDB for entries with ligand similarity: