Ki Summary

Reaction Details

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Target

Melanocortin receptor 3

Ligand

BDBM50205743

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_442413 (CHEMBL892575)

EC50

>10000±n/a nM

Citation

Ballet, S; Mayorov, AV; Cai, M; Tymecka, D; Chandler, KB; Palmer, ES; Rompaey, KV; Misicka, A; Tourwé, D; Hruby, VJ Novel selective human melanocortin-3 receptor ligands: use of the 4-amino-1,2,4,5-tetrahydro-2-benzazepin-3-one (Aba) scaffold. Bioorg Med Chem Lett17:2492-8 (2007) [PubMed] Article

More Info.:

Get all data from this article, Assay Method

Melanocortin receptor 3

Name:

Melanocortin receptor 3

Synonyms:

MC3-R | MC3R | MC3R_HUMAN | Melanocortin MC3 | Melanocortin receptor (M3 and M4)

Type:

Enzyme

Mol. Mass.:

36044.86

Organism:

Homo sapiens (Human)

Description:

P41968

Residue:

323

Sequence:

MNASCCLPSVQPTLPNGSEHLQAPFFSNQSSSAFCEQVFIKPEVFLSLGIVSLLENILVI
LAVVRNGNLHSPMYFFLCSLAVADMLVSVSNALETIMIAIVHSDYLTFEDQFIQHMDNIF
DSMICISLVASICNLLAIAVDRYVTIFYALRYHSIMTVRKALTLIVAIWVCCGVCGVVFI
VYSESKMVIVCLITMFFAMMLLMGTLYVHMFLFARLHVKRIAALPPADGVAPQQHSCMKG
AVTITILLGVFIFCWAPFFLHLVLIITCPTNPYCICYTAHFNTYLVLIMCNSVIDPLIYA
FRSLELRNTFREILCGCNGMNLG

BDBM50205743

n/a

Name

BDBM50205743

Synonyms:

(2R,5S,8S,11S,19S)-19-[(2S)-2-aminohexanamido]-2-benzyl-5-(3-carbamimidamidopropyl)-8-(1H-indol-3-ylmethyl)-3,6,9,17,20,31-hexaoxo-1,4,7,10,16,21-hexaazatricyclo[20.8.1.0^{24,29}]hentriaconta-24(29),25,27-triene-11-carboxamide | CHEMBL234629

Type

Small organic molecule

Emp. Form.

C52H69N13O8

Mol. Mass.

1004.1866

SMILES

CCCC[C@H](N)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)N2Cc3ccccc3CC(NC1=O)C2=O)C(N)=O |wU:36.38,9.8,wD:47.49,22.22,18.75,4.4,(-1.38,-16.95,;.11,-16.56,;.51,-15.07,;1.99,-14.67,;2.4,-13.19,;1.31,-12.1,;3.88,-12.79,;4.97,-13.88,;4.28,-11.3,;5.77,-10.91,;5.37,-12.39,;6.66,-13.23,;6.73,-14.77,;7.85,-12.27,;7.32,-10.83,;8.13,-9.59,;9.69,-9.6,;10.5,-8.27,;12.04,-8.31,;12.83,-6.94,;12.07,-5.59,;12.85,-4.26,;10.53,-5.57,;11.29,-4.23,;12.37,-3.14,;13.9,-3.37,;14.6,-1.99,;13.51,-.91,;13.58,.63,;12.29,1.47,;10.91,.76,;10.84,-.77,;12.13,-1.6,;9.79,-4.3,;8.24,-4.29,;7.47,-5.62,;7.48,-2.95,;8.25,-1.62,;7.48,-.29,;8.25,1.04,;7.48,2.38,;8.25,3.71,;7.49,5.04,;9.8,3.7,;5.94,-2.95,;5.14,-4.28,;5.89,-5.62,;3.6,-4.27,;2.85,-2.92,;1.31,-2.9,;.57,-1.55,;-.97,-1.53,;-1.75,-2.86,;-1,-4.2,;.54,-4.22,;2.65,-5.45,;1.12,-5.17,;-.05,-6.17,;-1.42,-5.47,;-2.73,-6.31,;-2.65,-7.86,;-1.27,-8.56,;.02,-7.72,;1.27,-8.64,;2.76,-8.25,;3.52,-9.58,;5,-9.54,;5.75,-8.2,;3.38,-6.82,;5.09,-6.94,;12.79,-9.65,;12,-10.97,;14.32,-9.67,)|

Structure