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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.
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GPCR

Name	Calcitonin gene-related peptide type 1 receptor
Species	Mus musculus (Mouse)
Gene	Calcrl
Synonym	Calcitonin receptor-like receptor CGRP type 1 receptor CLR (unofficial abbreviation in common use) CRLR
Disease	N/A for non-human GPCRs
Length	463
Amino acid sequence	MDKKHILCFLVLLPLNMALISAESEEGVNQTDLGVTRNKIMTAQYECYQKIMQDPIQQAEGLYCNRTWDGWLCWNDVAAGTESMQYCPDYFQDFDPSEKVTKICDQDGHWFRHPDSNRTWTNYTLCNNSTHEKVKTALNLFYLTIIGHGLSIASLIISLIIFFYFKSLSCQRITLHKNLFFSFICNSIVTIIHLTAVANNQALVATNPVSCKVSQFIHLYLMGCNYFWMLCEGVYLHTLIVVAVFAEKQHLMWYYFLGWGFPLLPACIHAIARSLYYNDNCWISSDTHLLYIIHGPICAALLVNLFFLLNIVRVLITKLKVTHQVESNLYMKAVRATLILVPLLGIEFVLFPWRPEGKVAEEVYDYVMHILMHFQGLLVATIFCFFNGEVQAILRRNWNQYKIQFGNGFSHSDALRSASYTVSTISDMQGYSHDCPTEHLNGKSIQDIENVALKSENMYDLVM
UniProt	Q9R1W5
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	CHEMBL2034811
IUPHAR	N/A
DrugBank	N/A

Ligand

Name	MK-8825
Molecular formula	C31H30F2N6O3
IUPAC name	2-[(8R)-8-(3,5-difluorophenyl)-8-methyl-10-oxo-6,9-diazaspiro[4.5]decan-9-yl]-N-[(3S)-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-3'-yl]acetamide
Molecular weight	572.617
Hydrogen bond acceptor	8
Hydrogen bond donor	3
XlogP	1.9
Synonyms	BDBM50385309 MK 8825 1380887-60-4 6,9-Diazaspiro(4.5)decane-9-acetamide, 8-(3,5-difluorophenyl)-8-methyl-10-oxo-N-((3'S)-1',2',5,7-tetrahydro-2'-oxospiro(6H-cyclopenta(b)pyridine-6,3'-(3H)pyrrolo(2,3-b)pyridin)-3-yl)-, (8R)- CHEMBL2035983 2-((8R)-8-(3,5-Difluorophenyl)-8-methyl-10-oxo-6,9-diazaspiro94.5)dec-9-yl)-N-((6S)-2'-oxo-1',2',5,7-tetrahydrospiro[cyclopenta(b)pyridine-6,3'-pyrrolo(2,3-b)pyridin)-3-yl)acetamide [ Show all ]
Inchi Key	IDKKNSOZWQOAAS-KYJUHHDHSA-N
Inchi ID	InChI=1S/C31H30F2N6O3/c1-29(19-10-20(32)12-21(33)11-19)17-36-31(6-2-3-7-31)28(42)39(29)16-25(40)37-22-9-18-13-30(14-24(18)35-15-22)23-5-4-8-34-26(23)38-27(30)41/h4-5,8-12,15,36H,2-3,6-7,13-14,16-17H2,1H3,(H,37,40)(H,34,38,41)/t29-,30-/m0/s1
PubChem CID	56944164
ChEMBL	CHEMBL2035983
IUPHAR	N/A
BindingDB	50385309
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
Ki	19.0 nM	PMID22607672	BindingDB,ChEMBL

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