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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 | CHEMBL101803 |
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Molecular formula | C26H33N3O3 |
IUPAC name | 1-[(2R)-1-(4-benzoylpiperidin-1-yl)-1-oxohexan-2-yl]-3-(3-methylphenyl)urea |
Molecular weight | 435.568 |
Hydrogen bond acceptor | 3 |
Hydrogen bond donor | 2 |
XlogP | 4.5 |
Synonyms | 1-[(R)-1-(4-Benzoyl-piperidine-1-carbonyl)-pentyl]-3-m-tolyl-urea BDBM50286173 |
Inchi Key | ASLCFRWVLZGOAR-HSZRJFAPSA-N |
Inchi ID | InChI=1S/C26H33N3O3/c1-3-4-13-23(28-26(32)27-22-12-8-9-19(2)18-22)25(31)29-16-14-21(15-17-29)24(30)20-10-6-5-7-11-20/h5-12,18,21,23H,3-4,13-17H2,1-2H3,(H2,27,28,32)/t23-/m1/s1 |
PubChem CID | 44334259 |
ChEMBL | CHEMBL101803 |
IUPHAR | N/A |
BindingDB | 50286173 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
IC50 | 2500.0 nM | , Bioorg. Med. Chem. Lett., (1995) 5:24:3057 | BindingDB,ChEMBL |
zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417