Reaction Details Report a problem with these data
Target
C-C chemokine receptor type 5
Ligand
BDBM50496849
Substrate
n/a
Meas. Tech.
ChEMBL_1329938 (CHEMBL3227489)
Ki
151±n/a nM
Citation
 Yuan, Y; Arnatt, CK; El-Hage, N; Dever, SM; Jacob, JC; Selley, DE; Hauser, KF; Zhang, Y A Bivalent Ligand Targeting the Putative Mu Opioid Receptor and Chemokine Receptor CCR5 Heterodimers: Binding Affinity versus Functional Activities. Medchemcomm 4:847-851 (2013) [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:
BDBM50496849
Synonyms:
CHEMBL3219779
Type:
Small organic molecule
Emp. Form.:
C45H69F2N9O7
Mol. Mass.:
886.0823
SMILES:
CNC(=O)COCC(=O)NCCCCCCCNC(=O)COCC(=O)Nc1ccc(cc1)[C@H](CCN1C2CCC1CC(C2)n1c(C)nnc1C(C)C)NC(=O)C1CCC(F)(F)CC1 |r,TLB:34:35:37.38:41.42.40,43:41:37.38:35|
Structure:
Search PDB for entries with ligand similarity: