Ki Summary

Reaction Details

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Target

Melanocyte-stimulating hormone receptor

Ligand

BDBM50354715

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_771453 (CHEMBL1837213)

IC50

0.820000±n/a nM

Citation

Baumhover, NJ; Martin, ME; Parameswarappa, SG; Kloepping, KC; O'Dorisio, MS; Pigge, FC; Schultz, MK Improved synthesis and biological evaluation of chelator-modifieda-MSH analogs prepared by copper-free click chemistry. Bioorg Med Chem Lett21:5757-61 (2011) [PubMed] Article

More Info.:

Get all data from this article, Assay Method

Melanocyte-stimulating hormone receptor

Name:

Melanocyte-stimulating hormone receptor

Synonyms:

Type:

PROTEIN

Mol. Mass.:

35238.60

Organism:

Mus musculus

Description:

ChEMBL_1498846

Residue:

315

Sequence:

MSTQEPQKSLLGSLNSNATSHLGLATNQSEPWCLYVSIPDGLFLSLGLVSLVENVLVVIA
ITKNRNLHSPMYYFICCLALSDLMVSVSIVLETTIILLLEAGILVARVALVQQLDNLIDV
LICGSMVSSLCFLGIIAIDRYISIFYALRYHSIVTLPRARRAVVGIWMVSIVSSTLFITY
YKHTAVLLCLVTFFLAMLALMAILYAHMFTRACQHAQGIAQLHKRRRSIRQGFCLKGAAT
LTILLGIFFLCWGPFFLHLLLIVLCPQHPTCSCIFKNFNLFLLLIVLSSTVDPLIYAFRS
QELRMTLKEVLLCSW

BDBM50354715

n/a

Name

BDBM50354715

Synonyms:

CHEMBL1834395

Type

Small organic molecule

Emp. Form.

C107H160FN29O24

Mol. Mass.

2255.5936

SMILES

CCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NCCCCCCn1nnc2c1CCCCCC2(F)C(=O)NCCCCNC(=O)CN1CCN(CC(O)=O)CCN(CC(O)=O)CC1)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(N)=O |r,wU:26.29,8.10,4.4,120.125,138.145,154.162,wD:14.23,79.82,88.91,98.102,109.114,150.159,(30.34,-37.71,;30.34,-39.25,;29.01,-40.02,;29.01,-41.56,;27.68,-42.34,;26.34,-41.56,;25.01,-42.34,;25.01,-43.87,;23.67,-41.56,;23.67,-40.02,;25.01,-39.25,;22.33,-42.34,;21,-41.56,;21,-40.02,;19.66,-42.34,;19.66,-43.87,;21,-44.65,;22.33,-43.88,;23.66,-44.65,;23.66,-46.19,;24.99,-46.96,;22.32,-46.96,;21,-46.18,;18.33,-41.56,;16.99,-42.34,;16.99,-43.87,;15.66,-41.56,;15.66,-40.02,;14.32,-39.25,;14.32,-42.34,;12.99,-41.57,;11.66,-42.35,;10.32,-41.58,;9,-42.35,;7.67,-41.59,;6.34,-42.36,;5,-41.6,;4.83,-40.06,;3.33,-39.75,;2.7,-40.98,;3.6,-42.22,;3.36,-43.75,;2.12,-44.64,;.6,-44.4,;-.31,-43.16,;-.07,-41.64,;1.18,-40.73,;1.94,-39.4,;-.16,-39.95,;-1.49,-40.71,;-.15,-38.41,;-1.47,-37.63,;-1.46,-36.1,;-2.79,-35.32,;-2.78,-33.78,;-4.1,-33,;-4.09,-31.47,;-5.42,-30.69,;-2.76,-30.71,;-2.74,-29.17,;-1.3,-28.62,;-.56,-27.29,;-.86,-25.78,;.46,-24.99,;1.81,-25.73,;3.12,-24.93,;1.84,-27.27,;-2.04,-24.82,;-3.58,-24.85,;-4.74,-25.85,;-6.09,-25.1,;-7.41,-25.89,;-8.75,-25.14,;-7.38,-27.43,;-4.98,-27.36,;-4.19,-28.68,;27.68,-43.87,;26.34,-44.65,;29.01,-44.65,;29.01,-46.19,;27.68,-46.96,;27.68,-48.5,;26.34,-49.28,;25.01,-48.5,;26.34,-50.81,;30.34,-46.96,;31.69,-46.19,;30.34,-48.5,;31.69,-49.28,;31.69,-50.81,;30.34,-51.59,;30.19,-53.12,;28.68,-53.45,;27.91,-52.11,;28.94,-50.96,;33.02,-48.5,;33.02,-46.96,;34.35,-49.28,;35.69,-48.5,;35.69,-46.96,;37.03,-46.19,;38.36,-46.96,;39.69,-46.19,;39.69,-44.65,;38.36,-43.87,;37.03,-44.65,;37.03,-49.28,;37.03,-50.81,;38.36,-48.5,;39.7,-49.28,;39.7,-50.81,;41.03,-51.59,;41.03,-53.13,;42.37,-53.91,;42.37,-55.44,;41.03,-56.22,;43.71,-56.22,;41.03,-48.5,;41.03,-46.96,;42.37,-49.28,;43.71,-48.5,;43.71,-46.96,;45.04,-46.19,;46.45,-46.81,;47.48,-45.67,;46.71,-44.33,;47.19,-42.87,;46.17,-41.72,;44.66,-42.04,;44.17,-43.51,;45.21,-44.65,;45.04,-49.28,;45.04,-50.81,;46.38,-48.5,;47.72,-49.28,;49.05,-48.5,;49.05,-46.96,;50.39,-49.28,;51.72,-48.5,;51.72,-46.96,;50.39,-46.19,;50.39,-44.65,;51.72,-43.87,;51.72,-42.34,;53.06,-49.28,;54.4,-48.5,;53.06,-50.81,;51.81,-51.73,;52.28,-53.19,;53.83,-53.19,;54.31,-51.73,;55.6,-50.9,;55.62,-49.36,;56.94,-51.68,;58.28,-50.92,;58.29,-49.38,;59.63,-48.62,;56.96,-48.59,;59.61,-51.7,;59.59,-53.25,;60.95,-50.94,)|

Structure