Ki Summary

Reaction Details

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Target

Melanocortin receptor 3

Ligand

BDBM50339349

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_736470 (CHEMBL1694298)

EC50

7600±n/a nM

Citation

Singh, A; Wilczynski, A; Holder, JR; Witek, RM; Dirain, ML; Xiang, Z; Edison, AS; Haskell-Luevano, C Incorporation of a bioactive reverse-turn heterocycle into a peptide template using solid-phase synthesis to probe melanocortin receptor selectivity and ligand conformations by 2D 1H NMR. J Med Chem54:1379-90 (2011) [PubMed] Article

More Info.:

Get all data from this article, Assay Method

Melanocortin receptor 3

Name:

Melanocortin receptor 3

Synonyms:

MC3-R | MC3R_MOUSE | Mc3r

Type:

PROTEIN

Mol. Mass.:

35808.24

Organism:

Mus musculus

Description:

ChEMBL_1498848

Residue:

323

Sequence:

MNSSCCLSSVSPMLPNLSEHPAAPPASNRSGSGFCEQVFIKPEVFLALGIVSLMENILVI
LAVVRNGNLHSPMYFFLCSLAAADMLVSLSNSLETIMIAVINSDSLTLEDQFIQHMDNIF
DSMICISLVASICNLLAIAIDRYVTIFYALRYHSIMTVRKALTLIGVIWVCCGICGVMFI
IYSESKMVIVCLITMFFAMVLLMGTLYIHMFLFARLHVQRIAVLPPAGVVAPQQHSCMKG
AVTITILLGVFIFCWAPFFLHLVLIITCPTNPYCICYTAHFNTYLVLIMCNSVIDPLIYA
FRSLELRNTFKEILCGCNSMNLG

BDBM50339349

n/a

Name

BDBM50339349

Synonyms:

(S)-2-acetamido-N-((R)-1-((6S,9S)-4-((S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl)-6-(3-guanidinopropyl)-3,8-dioxo-1,4,7-thiadiazecan-9-ylamino)-1-oxo-3-phenylpropan-2-yl)-3-(1H-imidazol-4-yl)propanamide | CHEMBL1688108

Type

Small organic molecule

Emp. Form.

C39H50N12O6S

Mol. Mass.

814.956

SMILES

CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H]1CSCC(=O)N(C[C@H](CCCN=C(N)N)NC1=O)[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r,wU:44.46,25.26,14.14,wD:33.35,4.3,(25.64,-3.74,;25.64,-5.28,;26.98,-6.06,;24.31,-6.06,;24.31,-7.6,;22.97,-8.37,;21.64,-7.6,;20.23,-8.23,;19.2,-7.09,;19.96,-5.75,;21.47,-6.07,;25.65,-8.36,;26.98,-7.6,;25.65,-9.91,;26.98,-10.68,;26.99,-12.22,;25.65,-12.99,;24.32,-12.22,;22.99,-12.99,;22.99,-14.53,;24.33,-15.3,;25.66,-14.52,;28.32,-9.9,;28.32,-8.36,;29.65,-10.67,;30.98,-9.9,;32.31,-10.67,;33.64,-9.9,;34.96,-10.67,;36.3,-9.91,;37.63,-10.69,;36.31,-8.37,;34.97,-7.59,;33.64,-8.36,;33.63,-6.82,;32.29,-6.06,;32.27,-4.52,;30.93,-3.76,;30.92,-2.22,;29.59,-1.46,;32.25,-1.44,;32.31,-7.58,;30.98,-8.36,;29.65,-7.59,;37.65,-7.61,;37.65,-6.07,;38.99,-5.3,;40.4,-5.93,;41.43,-4.79,;40.67,-3.46,;41.15,-2,;40.13,-.85,;38.61,-1.17,;38.14,-2.62,;39.16,-3.76,;38.98,-8.38,;40.32,-7.62,;38.97,-9.92,)|

Structure