Reaction Details Report a problem with these data
Target
C-C chemokine receptor type 5
Ligand
BDBM50104929
Substrate
n/a
Meas. Tech.
ChEMBL_49996 (CHEMBL661336)
Ki
25±n/a nM
Citation
 Palani, A; Shapiro, S; Josien, H; Bara, T; Clader, JW; Greenlee, WJ; Cox, K; Strizki, JM; Baroudy, BM Synthesis, SAR, and biological evaluation of oximino-piperidino-piperidine amides. 1. Orally bioavailable CCR5 receptor antagonists with potent anti-HIV activity. J Med Chem 45:3143-60 (2002) [PubMed]  Article 
Target
Name:
C-C chemokine receptor type 5
Synonyms:
C-C CKR-5 | CC-CKR-5 | CCR-5 | CCR5_MOUSE | CD_antigen=CD195 | Ccr5 | Cmkbr5 | MIP-1 alpha receptor
Type:
PROTEIN
Mol. Mass.:
40803.93
Organism:
Mus musculus
Description:
ChEMBL_49996
Residue:
354
Sequence:
MDFQGSVPTYSYDIDYGMSAPCQKINVKQIAAQLLPPLYSLVFIFGFVGNMMVFLILISCKKLKSVTDIYLLNLAISDLLFLLTLPFWAHYAANEWVFGNIMCKVFTGLYHIGYFGGIFFIILLTIDRYLAIVHAVFALKVRTVNFGVITSVVTWAVAVFASLPEIIFTRSQKEGFHYTCSPHFPHTQYHFWKSFQTLKMVILSLILPLLVMVICYSGILHTLFRCRNEKKRHRAVRLIFAIMIVYFLFWTPYNIVLLLTTFQEFFGLNNCSSSNRLDQAMQATETLGMTHCCLNPVIYAFVGEKFRSYLSVFFRKHMVKRFCKRCSIFQQDNPDRASSVYTRSTGEHEVSTGL
  
Inhibitor
Name:
BDBM50104929
Synonyms:
(4-{(4-Bromo-phenyl)-[(E)-methoxyimino]-methyl}-4'-methyl-[1,4']bipiperidinyl-1'-yl)-(2,6-dimethyl-phenyl)-methanone | (E)-{4-[(4-Bromo-phenyl)-methoxyimino-methyl]-4'-methyl-[1,4']bipiperidinyl-1'-yl}-(2,6-dimethyl-phenyl)-methanone | (E/Z)-{4-[(4-Bromo-phenyl)-methoxyimino-methyl]-4'-methyl-[1,4']bipiperidinyl-1'-yl}-(2,6-dimethyl-phenyl)-methanone | CHEMBL112760
Type:
Small organic molecule
Emp. Form.:
C28H36BrN3O2
Mol. Mass.:
526.508
SMILES:
CO\N=C(/C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)cccc1C)c1ccc(Br)cc1
Structure:
Search PDB for entries with ligand similarity: