Ki Summary

Reaction Details

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Target

Melanin-concentrating hormone receptor 2

Ligand

BDBM50164249

Substrate

n/a

Meas. Tech.

ChEMBL_302592 (CHEMBL839552)

>3000±n/a nM

Citation

McBriar, MD; Guzik, H; Xu, R; Paruchova, J; Li, S; Palani, A; Clader, JW; Greenlee, WJ; Hawes, BE; Kowalski, TJ; O'Neill, K; Spar, B; Weig, B Discovery of bicycloalkyl urea melanin concentrating hormone receptor antagonists: orally efficacious antiobesity therapeutics. J Med Chem 48:2274-7 (2005) [PubMed] Article

More Info.:

Get all data from this article, Assay Method

Target

Name:

Melanin-concentrating hormone receptor 2

Synonyms:

Type:

Enzyme Catalytic Domain

Mol. Mass.:

38862.16

Organism:

Homo sapiens (Human)

Description:

Melanin Concentrating Hormone 2 GPR145 HUMAN::Q969V1

Residue:

340

Sequence:

MNPFHASCWNTSAELLNKSWNKEFAYQTASVVDTVILPSMIGIICSTGLVGNILIVFTIIRSRKKTVPDIYICNLAVADLVHIVGMPFLIHQWARGGEWVFGGPLCTIITSLDTCNQFACSAIMTVMSVDRYFALVQPFRLTRWRTRYKTIRINLGLWAASFILALPVWVYSKVIKFKDGVESCAFDLTSPDDVLWYTLYLTITTFFFPLPLILVCYILILCYTWEMYQQNKDARCCNPSVPKQRVMKLTKMVLVLVVVFILSAAPYHVIQLVNLQMEQPTLAFYVGYYLSICLSYASSSINPFLYILLSGNFQKRLPQIQRRATEKEINNMGNTLKSHF

Inhibitor

Name:

BDBM50164249

Synonyms:

1-[4-(3-Cyano-phenyl)-4-methyl-cyclohexyl]-3-(4-fluoro-3-trifluoromethyl-phenyl)-1-[2-((R)-3-hydroxy-pyrrolidin-1-yl)-ethyl]-urea | CHEMBL191388

Type:

Small organic molecule

Emp. Form.:

C28H32F4N4O2

Mol. Mass.:

532.5729

SMILES:

C[C@@]1(CC[C@@H](CC1)N(CCN1CC[C@@H](O)C1)C(=O)Nc1ccc(F)c(c1)C(F)(F)F)c1cccc(c1)C#N |wU:4.7,13.14,1.0,(-1.35,-6.17,;-1.35,-4.63,;,-5.4,;1.33,-4.63,;1.33,-3.09,;,-2.32,;-1.35,-3.09,;2.67,-2.31,;4.01,-3.08,;4.01,-4.63,;5.34,-5.4,;6.68,-4.63,;7.82,-5.67,;7.19,-7.05,;7.96,-8.41,;5.67,-6.91,;2.67,-.75,;1.34,.02,;4,.02,;4,1.56,;2.67,2.33,;2.67,3.89,;4,4.64,;4,6.18,;5.34,3.89,;5.34,2.33,;6.68,4.66,;8.03,5.45,;7.47,3.31,;5.9,6.01,;-2.68,-5.4,;-4.01,-4.63,;-5.34,-5.4,;-5.34,-6.94,;-4.01,-7.71,;-2.68,-6.94,;-4.01,-9.25,;-4.01,-10.79,)|

Structure: