Ki Summary

Reaction Details

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Target

Melanocyte-stimulating hormone receptor

Ligand

BDBM50301140

Substrate

n/a

Meas. Tech.

ChEMBL_598563 (CHEMBL1043555)

EC50

567±n/a nM

Citation

Ruwe, AR; Koikov, L; Abdel-Malek, Z; Haskell-Luevano, C; Dirain, ML; Portillo, F; Xiang, Z; Wortman, M; Knittel, JJ Semi-rigid tripeptide agonists of melanocortin receptors. Bioorg Med Chem Lett 19:5176-81 (2009) [PubMed] Article

More Info.:

Get all data from this article, Assay Method

Target

Name:

Melanocyte-stimulating hormone receptor

Synonyms:

Type:

PROTEIN

Mol. Mass.:

35238.60

Organism:

Mus musculus

Description:

ChEMBL_1498846

Residue:

315

Sequence:

MSTQEPQKSLLGSLNSNATSHLGLATNQSEPWCLYVSIPDGLFLSLGLVSLVENVLVVIAITKNRNLHSPMYYFICCLALSDLMVSVSIVLETTIILLLEAGILVARVALVQQLDNLIDVLICGSMVSSLCFLGIIAIDRYISIFYALRYHSIVTLPRARRAVVGIWMVSIVSSTLFITYYKHTAVLLCLVTFFLAMLALMAILYAHMFTRACQHAQGIAQLHKRRRSIRQGFCLKGAATLTILLGIFFLCWGPFFLHLLLIVLCPQHPTCSCIFKNFNLFLLLIVLSSTVDPLIYAFRSQELRMTLKEVLLCSW

Inhibitor

Name:

BDBM50301140

Synonyms:

(R)-2-((R)-2-((S)-2-(3-(benzo[d][1,3]dioxol-5-yl)acrylamido)-3-(1H-imidazol-5-yl)propanamido)-3-phenylpropanamido)-5-guanidinopentanamide | CHEMBL568940

Type:

Small organic molecule

Emp. Form.:

C31H37N9O6

Mol. Mass.:

631.6822

SMILES:

NC(N)=NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C=Cc1ccc2OCOc2c1)C(N)=O |r,w:32.33,wU:22.30,7.7,wD:11.19,(29.56,-2.79,;28.23,-2.02,;28.23,-.48,;26.89,-2.79,;25.56,-2.03,;24.23,-2.8,;22.89,-2.03,;22.89,-.49,;21.56,.28,;20.22,-.49,;20.22,-2.03,;18.89,.28,;18.89,1.82,;17.56,2.59,;17.56,4.13,;16.23,4.9,;14.89,4.13,;14.89,2.59,;16.23,1.82,;17.56,-.49,;17.57,-2.03,;18.9,-2.8,;16.24,-2.8,;14.9,-2.03,;13.57,-2.8,;12.16,-2.16,;11.13,-3.32,;11.9,-4.64,;13.41,-4.33,;16.23,-4.34,;17.56,-5.1,;18.9,-4.33,;17.56,-6.64,;16.23,-7.41,;16.23,-8.95,;17.56,-9.71,;17.57,-11.25,;16.23,-12.02,;15.92,-13.53,;14.38,-13.7,;13.75,-12.3,;14.89,-11.26,;14.9,-9.71,;24.23,.28,;25.56,-.49,;24.23,1.82,)|

Structure: