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Name | Corticotropin-releasing factor receptor 1 |
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Species | Homo sapiens (Human) |
Gene | CRHR1 |
Synonym | CRHR CRH-R1 CRH-R-1 CRFR1 CRFR-1 [ Show all ] |
Disease | Major depressive disorder; Severe mood disorder Depression; Anxiety Depression Irritable bowel syndrome Anxiety disorder; Depression [ Show all ] |
Length | 444 |
Amino acid sequence | MGGHPQLRLVKALLLLGLNPVSASLQDQHCESLSLASNISGLQCNASVDLIGTCWPRSPAGQLVVRPCPAFFYGVRYNTTNNGYRECLANGSWAARVNYSECQEILNEEKKSKVHYHVAVIINYLGHCISLVALLVAFVLFLRLRPGCTHWGDQADGALEVGAPWSGAPFQVRRSIRCLRNIIHWNLISAFILRNATWFVVQLTMSPEVHQSNVGWCRLVTAAYNYFHVTNFFWMFGEGCYLHTAIVLTYSTDRLRKWMFICIGWGVPFPIIVAWAIGKLYYDNEKCWFGKRPGVYTDYIYQGPMILVLLINFIFLFNIVRILMTKLRASTTSETIQYRKAVKATLVLLPLLGITYMLFFVNPGEDEVSRVVFIYFNSFLESFQGFFVSVFYCFLNSEVRSAIRKRWHRWQDKHSIRARVARAMSIPTSPTRVSFHSIKQSTAV |
UniProt | P34998 |
Protein Data Bank | 4z9g, 4k5y |
GPCR-HGmod model | P34998 |
3D structure model | This structure is from PDB ID 4z9g. |
BioLiP | BL0350036,BL0350037,BL0350038, BL0251208 |
Therapeutic Target Database | T45262 |
ChEMBL | CHEMBL1800 |
IUPHAR | 212 |
DrugBank | BE0008658 |
Name | CHEMBL2179195 |
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Molecular formula | C26H37N3O5S |
IUPAC name | N-butyl-3-[4-(ethoxymethyl)-2,6-dimethoxyphenyl]-6-methoxy-N-(oxan-4-yl)pyrazolo[5,1-b][1,3]thiazol-7-amine |
Molecular weight | 503.658 |
Hydrogen bond acceptor | 8 |
Hydrogen bond donor | 0 |
XlogP | 4.8 |
Synonyms | SCHEMBL3101033 BDBM50398565 MKMSLJYQGXJIQH-UHFFFAOYSA-N N-butyl-3-[4-(ethoxymethyl)-2,6-dimethoxyphenyl]-6-methoxy-N-(tetrahydro-2H-pyran-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-amine |
Inchi Key | MKMSLJYQGXJIQH-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C26H37N3O5S/c1-6-8-11-28(19-9-12-34-13-10-19)24-25(32-5)27-29-20(17-35-26(24)29)23-21(30-3)14-18(16-33-7-2)15-22(23)31-4/h14-15,17,19H,6-13,16H2,1-5H3 |
PubChem CID | 57912459 |
ChEMBL | CHEMBL2179195 |
IUPHAR | N/A |
BindingDB | 50398565 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand is heavier than 500 daltons. |
Parameter | Value | Reference | Database source |
---|---|---|---|
IC50 | 7.1 nM | PMID22971011 | BindingDB,ChEMBL |
IC50 | 70.0 nM | PMID22971011 | BindingDB,ChEMBL |
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