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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 | CHEMBL3628733 |
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Molecular formula | C22H30N4O |
IUPAC name | 8-[butyl(ethyl)amino]-4-(2,4-dimethylphenyl)-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one |
Molecular weight | 366.509 |
Hydrogen bond acceptor | 4 |
Hydrogen bond donor | 1 |
XlogP | 4.7 |
Synonyms | BDBM50128777 SCHEMBL3805123 |
Inchi Key | VQWFJCHKPPMPFF-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C22H30N4O/c1-6-8-11-25(7-2)19-13-17(5)23-22-21(19)24-20(27)14-26(22)18-10-9-15(3)12-16(18)4/h9-10,12-13H,6-8,11,14H2,1-5H3,(H,24,27) |
PubChem CID | 46872036 |
ChEMBL | CHEMBL3628733 |
IUPHAR | N/A |
BindingDB | 50128777 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
Ki | 3.9 nM | PMID26456805 | BindingDB,ChEMBL |
zhanglabzhanggroup.org | (734) 647-1549 | 100 Washtenaw Avenue, Ann Arbor, MI 48109-2218