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Name | Cholecystokinin receptor type A |
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Species | Cavia porcellus (Guinea pig) |
Gene | CCKAR |
Synonym | CCK-A receptor CCK-AR CCK1-R Cholecystokinin-1 receptor |
Disease | N/A for non-human GPCRs |
Length | 430 |
Amino acid sequence | MDVVDSLFVNGSNITSACELGFENETLFCLDRPRPSKEWQPAVQILLYSLIFLLSVLGNTLVITVLIRNKRMRTVTNIFLLSLAVSDLMLCLFCMPFNLIPSLLKDFIFGSAVCKTTTYFMGTSVSVSTFNLVAISLERYGAICKPLQSRVWQTKSHALKVIAATWCLSFTIMTPYPIYSNLVPFTKNNNQTGNMCRFLLPNDVMQQTWHTFLLLILFLIPGIVMMVAYGLISLELYQGIKFDAIQKKSAKERKTSTGSSGPMEDSDGCYLQKSRHPRKLELRQLSPSSSGSNRINRIRSSSSTANLMAKKRVIRMLIVIVVLFFLCWMPIFSANAWRAYDTVSAERHLSGTPISFILLLSYTSSCVNPIIYCFMNKRFRLGFMATFPCCPNPGTPGVRGEMGEEEEGRTTGASLSRYSYSHMSTSAPPP |
UniProt | Q63931 |
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 | CHEMBL3501 |
IUPHAR | N/A |
DrugBank | N/A |
Name | CHEMBL105404 |
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Molecular formula | C31H33N3O5 |
IUPAC name | benzyl (3R)-4-(4-benzoylpiperidin-1-yl)-3-[(3-methylphenyl)carbamoylamino]-4-oxobutanoate |
Molecular weight | 527.621 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 2 |
XlogP | 4.0 |
Synonyms | 4-(4-Benzoyl-piperidin-1-yl)-4-(R)-oxo-3-(3-m-tolyl-ureido)-butyric acid benzyl ester BDBM50286156 |
Inchi Key | CMYMFJIRDMYHDJ-HHHXNRCGSA-N |
Inchi ID | InChI=1S/C31H33N3O5/c1-22-9-8-14-26(19-22)32-31(38)33-27(20-28(35)39-21-23-10-4-2-5-11-23)30(37)34-17-15-25(16-18-34)29(36)24-12-6-3-7-13-24/h2-14,19,25,27H,15-18,20-21H2,1H3,(H2,32,33,38)/t27-/m1/s1 |
PubChem CID | 44334176 |
ChEMBL | CHEMBL105404 |
IUPHAR | N/A |
BindingDB | 50286156 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand is heavier than 500 daltons. |
Parameter | Value | Reference | Database source |
---|---|---|---|
IC50 | 1300.0 nM | , Bioorg. Med. Chem. Lett., (1995) 5:24:3057 | BindingDB,ChEMBL |
zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417