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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 | CHEMBL321800 |
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Molecular formula | C31H35N3O4 |
IUPAC name | 1-[(2R,3R)-1-(4-benzoylpiperidin-1-yl)-1-oxo-3-phenylmethoxybutan-2-yl]-3-(3-methylphenyl)urea |
Molecular weight | 513.638 |
Hydrogen bond acceptor | 4 |
Hydrogen bond donor | 2 |
XlogP | 4.5 |
Synonyms | BDBM50286157 1-{(R)-1-[(R)-(4-Benzoyl-piperidin-1-yl)-oxo-methyl]-2-benzyloxy-propyl}-3-m-tolyl-urea |
Inchi Key | BAWQUHWZYDWDIH-QDPGVEIFSA-N |
Inchi ID | InChI=1S/C31H35N3O4/c1-22-10-9-15-27(20-22)32-31(37)33-28(23(2)38-21-24-11-5-3-6-12-24)30(36)34-18-16-26(17-19-34)29(35)25-13-7-4-8-14-25/h3-15,20,23,26,28H,16-19,21H2,1-2H3,(H2,32,33,37)/t23-,28-/m1/s1 |
PubChem CID | 44334438 |
ChEMBL | CHEMBL321800 |
IUPHAR | N/A |
BindingDB | 50286157 |
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