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GPCR

Name	Melanocortin receptor 4
Species	Homo sapiens (Human)
Gene	MC4R
Synonym	MC4-R MC4 receptor
Disease	Obesity; Sexual dysfunction Obesity; Diabetes Obesity Metabolic disorders Sexual dysfunction Sexual dysfunction; Obesity Female sexual dysfunction Erectile dysfunction Cachexia Anorexia nervosa cachexia [ Show all ]
Length	332
Amino acid sequence	MVNSTHRGMHTSLHLWNRSSYRLHSNASESLGKGYSDGGCYEQLFVSPEVFVTLGVISLLENILVIVAIAKNKNLHSPMYFFICSLAVADMLVSVSNGSETIVITLLNSTDTDAQSFTVNIDNVIDSVICSSLLASICSLLSIAVDRYFTIFYALQYHNIMTVKRVGIIISCIWAACTVSGILFIIYSDSSAVIICLITMFFTMLALMASLYVHMFLMARLHIKRIAVLPGTGAIRQGANMKGAITLTILIGVFVVCWAPFFLHLIFYISCPQNPYCVCFMSHFNLYLILIMCNSIIDPLIYALRSQELRKTFKEIICCYPLGGLCDLSSRY
UniProt	P32245
Protein Data Bank	N/A
GPCR-HGmod model	P32245
3D structure model	This predicted structure model is from GPCR-EXP P32245.
BioLiP	N/A
Therapeutic Target Database	T72458
ChEMBL	CHEMBL259
IUPHAR	285
DrugBank	N/A

Ligand

Name	CHEMBL3644314
Molecular formula	C47H69N17O9
IUPAC name	(3S,6S,9R,12S,15S,23S)-15-[[(2S)-2-acetamido-5-(diaminomethylideneamino)pentanoyl]amino]-12-(aminomethyl)-9-benzyl-6-[3-(diaminomethylideneamino)propyl]-3-(1H-indol-3-ylmethyl)-2,5,8,11,14,17-hexaoxo-1,4,7,10,13,18-hexazacyclotricosane-23-carboxamide
Molecular weight	1016.18
Hydrogen bond acceptor	12
Hydrogen bond donor	15
XlogP	-3.1
Synonyms	SCHEMBL10307983 US8846601, 62 BDBM135677
Inchi Key	AKWRCCVKTUGZCR-SFGQYLDMSA-N
Inchi ID	InChI=1S/C47H69N17O9/c1-26(65)58-32(16-9-19-55-46(50)51)40(68)63-36-23-38(66)54-18-8-7-15-31(39(49)67)59-43(71)35(22-28-25-57-30-14-6-5-13-29(28)30)62-41(69)33(17-10-20-56-47(52)53)60-42(70)34(21-27-11-3-2-4-12-27)61-45(73)37(24-48)64-44(36)72/h2-6,11-14,25,31-37,57H,7-10,15-24,48H2,1H3,(H2,49,67)(H,54,66)(H,58,65)(H,59,71)(H,60,70)(H,61,73)(H,62,69)(H,63,68)(H,64,72)(H4,50,51,55)(H4,52,53,56)/t31-,32-,33-,34+,35-,36-,37-/m0/s1
PubChem CID	88590647
ChEMBL	CHEMBL3644314
IUPHAR	N/A
BindingDB	135677
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has more than 5 hydrogen bond donor. This ligand has more than 10 hydrogen bond acceptor. This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
Ki	80.0 nM	, None	BindingDB,ChEMBL

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