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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 | CHEMBL320154 |
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Molecular formula | C28H35N5O5 |
IUPAC name | [(2R)-2-[(3-methylphenyl)carbamoylamino]-3-oxo-3-[4-(phenylcarbamoyl)piperidin-1-yl]propyl] pyrrolidine-1-carboxylate |
Molecular weight | 521.618 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 3 |
XlogP | 2.6 |
Synonyms | BDBM50286172 Pyrrolidine-1-carboxylic acid (R)-3-oxo-3-(4-phenylcarbamoyl-piperidin-1-yl)-2-(3-m-tolyl-ureido)-propyl ester |
Inchi Key | CHEUONHPKBJUCB-XMMPIXPASA-N |
Inchi ID | InChI=1S/C28H35N5O5/c1-20-8-7-11-23(18-20)30-27(36)31-24(19-38-28(37)33-14-5-6-15-33)26(35)32-16-12-21(13-17-32)25(34)29-22-9-3-2-4-10-22/h2-4,7-11,18,21,24H,5-6,12-17,19H2,1H3,(H,29,34)(H2,30,31,36)/t24-/m1/s1 |
PubChem CID | 10369442 |
ChEMBL | CHEMBL320154 |
IUPHAR | N/A |
BindingDB | 50286172 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand is heavier than 500 daltons. |
Parameter | Value | Reference | Database source |
---|---|---|---|
IC50 | 250.0 nM | , Bioorg. Med. Chem. Lett., (1995) 5:24:3057 | BindingDB,ChEMBL |
zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417