Ki Summary

Reaction Details

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Target

Melanocortin receptor 5

Ligand

BDBM50389775

Substrate

n/a

Meas. Tech.

ChEMBL_834299 (CHEMBL2073119)

3±n/a nM

Citation

Conde-Frieboes, K; Thøgersen, H; Lau, JF; Sensfuss, U; Hansen, TK; Christensen, L; Spetzler, J; Olsen, HB; Nilsson, C; Raun, K; Dahl, K; Hansen, BS; Wulff, BS Identification and in vivo and in vitro characterization of long acting and melanocortin 4 receptor (MC4-R) selectivea-melanocyte-stimulating hormone (a-MSH) analogues. J Med Chem 55:1969-77 (2012) [PubMed] Article

More Info.:

Get all data from this article, Assay Method

Target

Name:

Melanocortin receptor 5

Synonyms:

Type:

Enzyme

Mol. Mass.:

36612.92

Organism:

Homo sapiens (Human)

Description:

P33032

Residue:

325

Sequence:

MNSSFHLHFLDLNLNATEGNLSGPNVKNKSSPCEDMGIAVEVFLTLGVISLLENILVIGAIVKNKNLHSPMYFFVCSLAVADMLVSMSSAWETITIYLLNNKHLVIADAFVRHIDNVFDSMICISVVASMCSLLAIAVDRYVTIFYALRYHHIMTARRSGAIIAGIWAFCTGCGIVFILYSESTYVILCLISMFFAMLFLLVSLYIHMFLLARTHVKRIAALPGASSARQRTSMQGAVTVTMLLGVFTVCWAPFFLHLTLMLSCPQNLYCSRFMSHFNMYLILIMCNSVMDPLIYAFRSQEMRKTFKEIICCRGFRIACSFPRRD

Inhibitor

Name:

BDBM50389775

Synonyms:

CHEMBL2070248

Type:

Small organic molecule

Emp. Form.:

C74H114N18O15

Mol. Mass.:

1495.8086

SMILES:

CCCCCCCCCCCCCCCC(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H](CCCC)C(=O)N[C@H]1CCC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O)C(N)=O |r,wU:46.45,96.104,85.87,74.76,56.108,wD:38.37,60.60,98.101,(3.21,-29.61,;1.67,-29.58,;.93,-28.23,;-.61,-28.21,;-1.36,-26.86,;-2.9,-26.83,;-3.69,-28.15,;-5.23,-28.13,;-6.02,-29.45,;-7.56,-29.42,;-8.31,-28.07,;-9.85,-28.04,;-10.6,-26.7,;-12.15,-26.67,;-12.94,-27.99,;-12.19,-29.34,;-10.64,-29.36,;-12.99,-30.66,;-12.24,-32,;-10.69,-32.03,;-9.9,-30.71,;-9.94,-33.38,;-8.4,-33.4,;-7.65,-34.74,;-6.11,-34.77,;-8.45,-36.07,;-7.7,-37.42,;-8.49,-38.73,;-10.02,-38.7,;-7.74,-40.08,;-8.53,-41.4,;-7.78,-42.75,;-6.24,-42.77,;-8.57,-44.07,;-7.82,-45.42,;-6.28,-45.44,;-5.49,-44.12,;-5.53,-46.78,;-4,-46.81,;-3.25,-48.16,;-4.04,-49.48,;-3.3,-50.83,;-4.09,-52.15,;-3.21,-45.49,;-3.95,-44.15,;-1.66,-45.52,;-.88,-44.2,;-1.45,-42.77,;-.41,-41.14,;-.42,-32.83,;-1.51,-31.74,;21.57,-32.78,;21.53,-37.98,;20.19,-38.73,;20.16,-40.27,;18.82,-41.02,;18.8,-42.56,;17.45,-43.31,;16.13,-42.52,;16.15,-40.98,;14.79,-43.27,;14.76,-44.81,;16.08,-45.6,;17.5,-44.99,;18.51,-46.15,;17.72,-47.47,;18.18,-48.94,;17.13,-50.07,;15.63,-49.74,;15.18,-48.26,;16.22,-47.13,;13.46,-42.48,;12.12,-43.23,;12.09,-44.77,;10.79,-42.45,;10.82,-40.9,;12.16,-40.15,;12.19,-38.61,;13.52,-37.86,;13.55,-36.32,;12.23,-35.53,;14.9,-35.57,;9.45,-43.19,;8.13,-42.41,;8.15,-40.86,;6.79,-43.15,;6.76,-44.7,;8.08,-45.49,;9.43,-44.73,;10.75,-45.52,;10.72,-47.06,;9.39,-47.81,;8.06,-47.02,;5.46,-42.36,;4.12,-43.12,;4.09,-44.65,;2.8,-42.33,;2.9,-40.77,;1.26,-40.42,;.58,-38.88,;.41,-41.86,;1.52,-43.13,;.65,-44.41,;1.32,-45.79,;20.12,-43.35,;21.47,-42.6,;20.1,-44.89,)|

Structure: