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GLASS

You can:

Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
Go to the GPCR page and check other ligands which interact with it.
Go to the ligand page and check other GPCRs which it interacts with.
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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	CHEMBL236861
Molecular formula	C34H44ClN3O
IUPAC name	N-[4-[(4-aminocyclohexyl)methyl]cyclohexyl]-N-[(Z)-2-chloro-3-phenylprop-2-enyl]-4-(1H-indol-3-yl)butanamide
Molecular weight	546.196
Hydrogen bond acceptor	2
Hydrogen bond donor	2
XlogP	7.3
Synonyms	BDBM50217674 (Z)-N-(4-((4-aminocyclohexyl)methyl)cyclohexyl)-N-(2-chloro-3-phenylallyl)-4-(1H-indol-3-yl)butanamide BDBM50217729 CHEMBL237920 N-((1R,4r)-4-(((1r,4R)-4-aminocyclohexyl)methyl)cyclohexyl)-N-((Z)-2-chloro-3-phenylallyl)-4-(1H-indol-3-yl)butanamide
Inchi Key	CRXBLMIVMQUQBT-IADYIPOJSA-N
Inchi ID	InChI=1S/C34H44ClN3O/c35-29(22-25-7-2-1-3-8-25)24-38(31-19-15-27(16-20-31)21-26-13-17-30(36)18-14-26)34(39)12-6-9-28-23-37-33-11-5-4-10-32(28)33/h1-5,7-8,10-11,22-23,26-27,30-31,37H,6,9,12-21,24,36H2/b29-22-
PubChem CID	44434690
ChEMBL	CHEMBL236861
IUPHAR	N/A
BindingDB	50217674
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
Ki	510.0 nM	PMID17618123	ChEMBL
Ki	610.0 nM	PMID17618123	ChEMBL
Ki	960.0 nM	PMID17618123	BindingDB,ChEMBL
Ki	1400.0 nM	PMID17618123	ChEMBL
Ki	2300.0 nM	PMID17618123	ChEMBL

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