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GLASS

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Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
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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	BDBM50115367
Molecular formula	C35H43N11O5
IUPAC name	2-[(2S)-2-acetamido-3-(1H-imidazol-5-yl)propanoyl]-N-[(2S)-1-[[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-3,4-dihydro-1H-isoquinoline-3-carboxamide
Molecular weight	697.801
Hydrogen bond acceptor	7
Hydrogen bond donor	8
XlogP	-0.2
Synonyms	(2S)-N-[(1S)-1-carbamoyl-2-(1H-indol-3-yl)ethyl]-5-[(diaminomethylidene)amino]-2-({2-[(2S)-2-acetamido-3-(1H-imidazol-4-yl)propanoyl]-1,2,3,4-tetrahydroisoquinolin-3-yl}formamido)pentanamide 2-[2-Acetylamino-3-(3H-imidazol-4-yl)-propionyl]-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid {1-[1-carbamoyl-2-(1H-indol-3-yl)-ethylcarbamoyl]-4-guanidino-butyl}-amide
Inchi Key	DOONUQVQAZPUIE-UNVCSADESA-N
Inchi ID	InChI=1S/C35H43N11O5/c1-20(47)43-29(15-24-17-39-19-42-24)34(51)46-18-22-8-3-2-7-21(22)14-30(46)33(50)44-27(11-6-12-40-35(37)38)32(49)45-28(31(36)48)13-23-16-41-26-10-5-4-9-25(23)26/h2-5,7-10,16-17,19,27-30,41H,6,11-15,18H2,1H3,(H2,36,48)(H,39,42)(H,43,47)(H,44,50)(H,45,49)(H4,37,38,40)/t27-,28-,29-,30?/m0/s1
PubChem CID	44334946
ChEMBL	N/A
IUPHAR	N/A
BindingDB	50115367
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	40800.0 nM	PMID12086493	BindingDB
EC50	53600.0 nM	PMID12086493	BindingDB

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