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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 | CHEMBL432496 |
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Molecular formula | C20H27BrN4O |
IUPAC name | N-(2-bromo-4-propan-2-ylphenyl)-N-ethyl-4-methyl-6-morpholin-4-ylpyrimidin-2-amine |
Molecular weight | 419.367 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 0 |
XlogP | 4.9 |
Synonyms | (2-Bromo-4-isopropyl-phenyl)-ethyl-(4-methyl-6-morpholin-4-yl-pyrimidin-2-yl)-amine BDBM50074372 SCHEMBL7684973 2-[Ethyl(2-bromo-4-isopropylphenyl)amino]-4-morpholino-6-methylpyrimidine |
Inchi Key | DQSVEQFHEZHQRX-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C20H27BrN4O/c1-5-25(18-7-6-16(14(2)3)13-17(18)21)20-22-15(4)12-19(23-20)24-8-10-26-11-9-24/h6-7,12-14H,5,8-11H2,1-4H3 |
PubChem CID | 10549990 |
ChEMBL | CHEMBL432496 |
IUPHAR | N/A |
BindingDB | 50074372 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
Ki | 22.0 nM | PMID10072679 | BindingDB,ChEMBL |
Ki | 63.0 nM | PMID10794681 | BindingDB,ChEMBL |
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