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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.
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	Adrenocorticotropic hormone receptor
Species	Mus musculus (Mouse)
Gene	Mc2r
Synonym	melanocortin 2 receptor (adrenocorticotropic hormone) melanocortin 2 receptor MC2-R MC2 receptor ACTH receptor Adrenocorticotropin receptor adrenocorticotropic hormone receptor ACTHR ACTH-R Melanocortin receptor 2 [ Show all ]
Disease	N/A for non-human GPCRs
Length	296
Amino acid sequence	MKHIINSYEHTNDTARNNSDCPDVVLPEEIFFTISVIGILENLIVLLAVIKNKNLQSPMYFFICSLAISDMLGSLYKILENILIMFRNMGYLKPRGSFESTADDIIDCMFILSLLGSIFSLSVIAADRYITIFHALQYHSIVTMRRTIITLTIIWMFCTGSGITMVIFSHHIPTVLTFTSLFPLMLVFILCLYIHMFLLARSHARKISTLPRTNMKGAMTLTILLGVFIFCWAPFVLHVLLMTFCPNNPYCVCYMSLFQVNGMLIMCNAVIDPFIYAFRSPELRDAFKRMLFCNRY
UniProt	Q64326
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	CHEMBL2279
IUPHAR	N/A
DrugBank	N/A

Ligand

Name	CHEMBL333283
Molecular formula	C32H34ClN7O2
IUPAC name	(3R)-N-[(2R)-3-(4-chlorophenyl)-1-oxo-1-[4-[2-(1,2,4-triazol-4-ylmethyl)phenyl]piperazin-1-yl]propan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
Molecular weight	584.121
Hydrogen bond acceptor	6
Hydrogen bond donor	2
XlogP	3.5
Synonyms	(3R)-N-[(alphaR)-alpha-[4-[2-(4H-1,2,4-Triazole-4-ylmethyl)phenyl]piperazinocarbonyl]-4-chlorophenethyl]-1,2,3,4-tetrahydroisoquinoline-3beta-carboxamide BDBM50134488 (R)-1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic acid {(R)-1-(4-chloro-benzyl)-2-oxo-2-[4-(2-[1,2,4]triazol-4-ylmethyl-phenyl)-piperazin-1-yl]-ethyl}-amide
Inchi Key	SQUPSEKHAYZJTP-FQLXRVMXSA-N
Inchi ID	InChI=1S/C32H34ClN7O2/c33-27-11-9-23(10-12-27)17-29(37-31(41)28-18-24-5-1-2-6-25(24)19-34-28)32(42)40-15-13-39(14-16-40)30-8-4-3-7-26(30)20-38-21-35-36-22-38/h1-12,21-22,28-29,34H,13-20H2,(H,37,41)/t28-,29-/m1/s1
PubChem CID	44349019
ChEMBL	CHEMBL333283
IUPHAR	N/A
BindingDB	50134488
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
EC50	<10000.0 nM	PMID14552781	BindingDB,ChEMBL

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