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Go to the GPCR, ligand, or experimental data tables.
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GPCR

Name	Melanocyte-stimulating hormone receptor
Species	Mus musculus (Mouse)
Gene	Mc1r
Synonym	MC1 receptor MC1-R melanocortin 1 receptor (alpha melanocyte stimulating hormone receptor) Melanocortin receptor 1 MSH-R
Disease	N/A for non-human GPCRs
Length	315
Amino acid sequence	MSTQEPQKSLLGSLNSNATSHLGLATNQSEPWCLYVSIPDGLFLSLGLVSLVENVLVVIAITKNRNLHSPMYYFICCLALSDLMVSVSIVLETTIILLLEAGILVARVALVQQLDNLIDVLICGSMVSSLCFLGIIAIDRYISIFYALRYHSIVTLPRARRAVVGIWMVSIVSSTLFITYYKHTAVLLCLVTFFLAMLALMAILYAHMFTRACQHAQGIAQLHKRRRSIRQGFCLKGAATLTILLGIFFLCWGPFFLHLLLIVLCPQHPTCSCIFKNFNLFLLLIVLSSTVDPLIYAFRSQELRMTLKEVLLCSW
UniProt	Q01727
Protein Data Bank	N/A
GPCR-HGmod model	N/A
3D structure model	No available structures or models
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL4077
IUPHAR	N/A
DrugBank	N/A

Ligand

Name	CHEMBL264190
Molecular formula	C34H43N11O5
IUPAC name	(2S)-2-[[(2R)-2-[[(2S)-2-acetamido-3-(1H-imidazol-5-yl)propanoyl]amino]-3-phenylpropanoyl]amino]-N-[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-5-(diaminomethylideneamino)pentanamide
Molecular weight	685.79
Hydrogen bond acceptor	7
Hydrogen bond donor	9
XlogP	-0.3
Synonyms	Ac-His-D-Phe-Arg-Trp-NH(2) JRH-887-9 149969-04-0 Ac-His-DPhe-Arg-Trp-NH2 (S)-2-{(R)-2-[(S)-2-Acetylamino-3-(1H-imidazol-4-yl)-propionylamino]-3-phenyl-propionylamino}-5-guanidino-pentanoic acid [(S)-1-carbamoyl-2-(1H-indol-3-yl)-ethyl]-amide Ac-His-D-Phe-Arg-Trp-NH2 L-Tryptophanamide, N-acetyl-L-histidyl-D-phenylalanyl-L-arginyl- 1N-[1-carbamoyl-2-(1H-3-indolyl)-(1S)-ethyl]-5-amino(imino)methylamino-2-[1-[2-(1H-5-imidazolyl)-1-methylcarboxamido-(1S)-ethylcarboxamido]-2-phenyl-(1R)-ethylcarboxamido]-(2S)-pentanamide BDBM50034922 Ac-His(6)-DPhe(7)-Arg(8)-Trp(9)-NH(2) CTK0E8618 (S)-2-{(R)-2-[(S)-2-Acetylamino-3-(3H-imidazol-4-yl)-propionylamino]-3-phenyl-propionylamino}-5-guanidino-pentanoic acid [(S)-1-carbamoyl-2-(1H-indol-3-yl)-ethyl]-amide Ac-His-DPhe-Arg-Trp-NH(2) 2-{2-[2-Acetylamino-3-(3H-imidazol-4-yl)-propionylamino]-3-phenyl-propionylamino}-5-guanidino-pentanoic acid [1-carbamoyl-2-(1H-indol-3-yl)-ethyl]-amide [ Show all ]
Inchi Key	DFCJPPDAOZROBS-FKWFRFQNSA-N
Inchi ID	InChI=1S/C34H43N11O5/c1-20(46)42-29(16-23-18-38-19-41-23)33(50)45-28(14-21-8-3-2-4-9-21)32(49)43-26(12-7-13-39-34(36)37)31(48)44-27(30(35)47)15-22-17-40-25-11-6-5-10-24(22)25/h2-6,8-11,17-19,26-29,40H,7,12-16H2,1H3,(H2,35,47)(H,38,41)(H,42,46)(H,43,49)(H,44,48)(H,45,50)(H4,36,37,39)/t26-,27-,28+,29-/m0/s1
PubChem CID	11093672
ChEMBL	CHEMBL264190
IUPHAR	N/A
BindingDB	50034922
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has more than 5 hydrogen bond donor. This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
EC50	14.0 nM	PMID26959173	BindingDB
EC50	14.1 nM	PMID26959173	ChEMBL
EC50	18.0 nM	PMID26005535	BindingDB,ChEMBL
EC50	20.0 nM	PMID14643357	BindingDB,ChEMBL
EC50	20.1 nM	PMID12086493, PMID12061882	BindingDB,ChEMBL
EC50	25.6 nM	PMID11405661	BindingDB,ChEMBL
EC50	52.0 nM	PMID15857138	BindingDB,ChEMBL
EC50	71.0 nM	PMID25699138	BindingDB,ChEMBL
EC50	112.0 nM	PMID18800761	BindingDB,ChEMBL
EC50	140.0 nM	PMID12477357	ChEMBL
FC	1.0 -	PMID18800761	ChEMBL
IC50	388.0 nM	PMID26959173	BindingDB,ChEMBL
Ratio EC50	1.0 -	PMID26959173	ChEMBL
Ratio IC50	1.0 -	PMID26959173	ChEMBL

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