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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	Corticotropin-releasing factor receptor 1
Species	Rattus norvegicus (Rat)
Gene	Crhr1
Synonym	CRH-R1 CRH-R-1 CRFR1 CRFR-1 CRF1 receptor CRF-RA CRF-R1alpha CRF-R1 CRF-R-1 CRF-R CRF 1 receptor Corticotropin-releasing hormone receptor 1 CRHR [ Show all ]
Disease	N/A for non-human GPCRs
Length	415
Amino acid sequence	MGRRPQLRLVKALLLLGLNPVSTSLQDQRCENLSLTSNVSGLQCNASVDLIGTCWPRSPAGQLVVRPCPAFFYGVRYNTTNNGYRECLANGSWAARVNYSECQEILNEEKKSKVHYHVAVIINYLGHCISLVALLVAFVLFLRLRSIRCLRNIIHWNLISAFILRNATWFVVQLTVSPEVHQSNVAWCRLVTAAYNYFHVTNFFWMFGEGCYLHTAIVLTYSTDRLRKWMFVCIGWGVPFPIIVAWAIGKLHYDNEKCWFGKRPGVYTDYIYQGPMILVLLINFIFLFNIVRILMTKLRASTTSETIQYRKAVKATLVLLPLLGITYMLFFVNPGEDEVSRVVFIYFNSFLESFQGFFVSVFYCFLNSEVRSAIRKRWRRWQDKHSIRARVARAMSIPTSPTRVSFHSIKQSTAV
UniProt	P35353
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	CHEMBL4649
IUPHAR	212
DrugBank	N/A

Ligand

Name	CP-376395
Molecular formula	C21H30N2O
IUPAC name	3,6-dimethyl-N-pentan-3-yl-2-(2,4,6-trimethylphenoxy)pyridin-4-amine
Molecular weight	326.484
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	6.4
Synonyms	3,6-dimethyl-N-pentan-3-yl-2-(2,4,6-trimethylphenoxy)pyridin-4-amine GD-0065 VIZBSVDBNLAVAW-UHFFFAOYSA-N 175140-00-8 4k5y KB-76174 API0007847 D06FIF SCHEMBL123421 CHEMBL270948 GTPL3496 ZINC14975027 1Q5 5113G7FP34 CP376395 KS-00002WT7 3,6-Dimethyl-N-(Pentan-3-Yl)-2-(2,4,6-Trimethylphenoxy)pyridin-4-Amine BDBM20966 DTXSID0047298 UNII-5113G7FP34 4-Pyridinamine, N-(1-ethylpropyl)-3,6-dimethyl-2-(2,4,6-trimethylphenoxy)- CP 376395 HY-14130 [3,6-Dimethyl-2-(2,4,6-trimethyl-phenoxy)-pyridin-4-yl]-(1-ethyl-propyl)-amine 2-Aryloxy-4-alkylaminopyridine, 3a AKOS015994585 CS-7833 MolPort-009-194-134 [ Show all ]
Inchi Key	VIZBSVDBNLAVAW-UHFFFAOYSA-N
Inchi ID	InChI=1S/C21H30N2O/c1-8-18(9-2)23-19-12-16(6)22-21(17(19)7)24-20-14(4)10-13(3)11-15(20)5/h10-12,18H,8-9H2,1-7H3,(H,22,23)
PubChem CID	9862166
ChEMBL	CHEMBL270948
IUPHAR	3496
BindingDB	20966
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
IC50	5.01 nM	PMID18288792	IUPHAR
IC50	5.1 nM	PMID18288792, PMID21618986	BindingDB,ChEMBL
IC50	5.129 nM	PMID18288792	ChEMBL
Ki	12.0 nM	PMID18288792	ChEMBL

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