Reaction Details Report a problem with these data
Target
C-C chemokine receptor type 5
Ligand
BDBM50104933
Substrate
n/a
Meas. Tech.
ChEMBL_49996 (CHEMBL661336)
Ki
1.1±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]
More Info.:
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:
BDBM50104933
Synonyms:
CHEMBL105821 | {4-[(4-Bromo-phenyl)-ethoxyimino-methyl]-4'-methyl-[1,4']bipiperidinyl-1'-yl}-(2,4-dimethyl-pyridin-3-yl)-methanone
Type:
Small organic molecule
Emp. Form.:
C28H37BrN4O2
Mol. Mass.:
541.523
SMILES:
CCO\N=C(\C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)ccnc1C)c1ccc(Br)cc1