Ki Summary

Reaction Details

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Target

C-C chemokine receptor type 5

Ligand

BDBM50104957

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_39651 (CHEMBL649956)

20±n/a nM

Citation

Tagat, JR; Steensma, RW; McCombie, SW; Nazareno, DV; Lin, SI; Neustadt, BR; Cox, K; Xu, S; Wojcik, L; Murray, MG; Vantuno, N; Baroudy, BM; Strizki, JM Piperazine-based CCR5 antagonists as HIV-1 inhibitors. II. Discovery of 1-[(2,4-dimethyl-3-pyridinyl)carbonyl]-4- methyl-4-[3(S)-methyl-4-[1(S)-[4-(trifluoromethyl)phenyl]ethyl]-1-piperazinyl]- piperidine N1-oxide (Sch-350634), an orally bioavailable, potent CCR5 antagonist. J Med Chem44:3343-6 (2001) [PubMed]

More Info.:

Get all data from this article, Assay Method

C-C chemokine receptor type 5

Name:

C-C chemokine receptor type 5

Synonyms:

Type:

Enzyme

Mol. Mass.:

40540.21

Organism:

Homo sapiens (Human)

Description:

P51681

Residue:

352

Sequence:

MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKR
LKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFII
LLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSS
HFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTI
MIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFV
GEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL

BDBM50104957

n/a

Name

BDBM50104957

Synonyms:

(2,6-Dimethyl-phenyl)-(4-{(S)-4-[(S)-1-(4-iodo-phenyl)-ethyl]-3-methyl-piperazin-1-yl}-piperidin-1-yl)-methanone | (2,6-Dimethyl-phenyl)-(4-{4-[1-(4-iodo-phenyl)-ethyl]-3-methyl-piperazin-1-yl}-piperidin-1-yl)-methanone | CHEMBL112659

Type

Small organic molecule

Emp. Form.

C27H36IN3O

Mol. Mass.

545.4987

SMILES

C[C@H](N1CCN(C[C@@H]1C)C1CCN(CC1)C(=O)c1c(C)cccc1C)c1ccc(I)cc1

Structure