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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 | CHEMBL103312 |
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Molecular formula | C30H32N4O5 |
IUPAC name | [(2R)-3-(4-benzoylpiperidin-1-yl)-2-[(3-methylphenyl)carbamoylamino]-3-oxopropyl] N-phenylcarbamate |
Molecular weight | 528.609 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 3 |
XlogP | 4.0 |
Synonyms | BDBM50286158 Phenyl-carbamic acid (R)-3-(4-benzoyl-piperidin-1-yl)-3-oxo-2-(3-m-tolyl-ureido)-propyl ester |
Inchi Key | BYSPJTKARHNTCE-AREMUKBSSA-N |
Inchi ID | InChI=1S/C30H32N4O5/c1-21-9-8-14-25(19-21)31-29(37)33-26(20-39-30(38)32-24-12-6-3-7-13-24)28(36)34-17-15-23(16-18-34)27(35)22-10-4-2-5-11-22/h2-14,19,23,26H,15-18,20H2,1H3,(H,32,38)(H2,31,33,37)/t26-/m1/s1 |
PubChem CID | 44334248 |
ChEMBL | CHEMBL103312 |
IUPHAR | N/A |
BindingDB | 50286158 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand is heavier than 500 daltons. |
Parameter | Value | Reference | Database source |
---|---|---|---|
IC50 | 290.0 nM | , Bioorg. Med. Chem. Lett., (1995) 5:24:3057 | BindingDB,ChEMBL |
zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417