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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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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	CHEMBL412174
Molecular formula	C52H67BrN12O8
IUPAC name	(3S,6R,9S,15R,23S)-9-benzyl-6'-bromo-6-[3-(diaminomethylideneamino)propyl]-3-(1H-indol-3-ylmethyl)-2,5,8,11,14,17-hexaoxo-15-(pentanoylamino)spiro[1,4,7,10,13,18-hexazacyclotricosane-12,3'-2,4-dihydro-1H-naphthalene]-23-carboxamide
Molecular weight	1068.09
Hydrogen bond acceptor	9
Hydrogen bond donor	11
XlogP	3.0
Synonyms	BDBM50126084
Inchi Key	AFAMBAJIJMXZRP-MVZZTEKNSA-N
Inchi ID	InChI=1S/C52H67BrN12O8/c1-2-3-18-43(66)60-42-28-44(67)57-23-10-9-16-38(45(54)68)61-48(71)41(27-34-30-59-37-15-8-7-14-36(34)37)63-46(69)39(17-11-24-58-51(55)56)62-47(70)40(25-31-12-5-4-6-13-31)64-50(73)52(65-49(42)72)22-21-32-19-20-35(53)26-33(32)29-52/h4-8,12-15,19-20,26,30,38-42,59H,2-3,9-11,16-18,21-25,27-29H2,1H3,(H2,54,68)(H,57,67)(H,60,66)(H,61,71)(H,62,70)(H,63,69)(H,64,73)(H,65,72)(H4,55,56,58)/t38-,39+,40-,41-,42+,52?/m0/s1
PubChem CID	44275265
ChEMBL	CHEMBL412174
IUPHAR	N/A
BindingDB	50126084
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	10.0 nM	PMID12657270	BindingDB,ChEMBL

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