Reaction Details  Report a problem with these data
Target
Cholecystokinin receptor type A
Ligand
BDBM50470624
Substrate
n/a
Meas. Tech.
ChEMBL_49874 (CHEMBL857786)
Ki
2042±n/a nM
Citation
 Kalindjian, SB; Buck, IM; Cushnir, JR; Dunstone, DJ; Hudson, ML; Low, CM; McDonald, IM; Pether, MJ; Steel, KI; Tozer, MJ Improving the affinity and selectivity of a nonpeptide series of cholecystokinin-B/gastrin receptor antagonists based on the dibenzobicyclo[2.2.2]octane skeleton. J Med Chem 38:4294-302 (1995) [PubMed]  Article
Target
Name:
Cholecystokinin receptor type A
Synonyms:
CCK-A receptor | CCK-AR | CCK1-R | CCKAR | CCKAR_CAVPO | Cholecystokinin A receptor | Cholecystokinin receptor type A | Cholecystokinin-1 receptor
Type:
n/a
Mol. Mass.:
48229.77
Organism:
Cavia porcellus
Description:
n/a
Residue:
430
Sequence:
MDVVDSLFVNGSNITSACELGFENETLFCLDRPRPSKEWQPAVQILLYSLIFLLSVLGNTLVITVLIRNKRMRTVTNIFLLSLAVSDLMLCLFCMPFNLIPSLLKDFIFGSAVCKTTTYFMGTSVSVSTFNLVAISLERYGAICKPLQSRVWQTKSHALKVIAATWCLSFTIMTPYPIYSNLVPFTKNNNQTGNMCRFLLPNDVMQQTWHTFLLLILFLIPGIVMMVAYGLISLELYQGIKFDAIQKKSAKERKTSTGSSGPMEDSDGCYLQKSRHPRKLELRQLSPSSSGSNRINRIRSSSSTANLMAKKRVIRMLIVIVVLFFLCWMPIFSANAWRAYDTVSAERHLSGTPISFILLLSYTSSCVNPIIYCFMNKRFRLGFMATFPCCPNPGTPGVRGEMGEEEEGRTTGASLSRYSYSHMSTSAPPP
  
Inhibitor
Name:
BDBM50470624
Synonyms:
CHEMBL337673
Type:
Small organic molecule
Emp. Form.:
C43H43N3O7
Mol. Mass.:
713.8174
SMILES:
OC(=O)c1cc(NC(=O)[C@H](Cc2ccccc2)NC(=O)C2C(C3c4ccccc4C2c2ccccc32)C(=O)NCC2CCCCCC2)cc(c1)C(O)=O |wD:9.9,TLB:24:23:20.21:35.30,34:35:20.21:28.23,THB:31:30:20.21:28.23,18:20:28.23:35.30,36:21:28.23:35.30,(18.07,-9.91,;16.74,-9.14,;16.72,-7.59,;15.39,-9.93,;14.06,-9.16,;12.74,-9.93,;11.39,-9.16,;9.85,-9.16,;9.46,-7.65,;8.77,-10.26,;9.17,-11.75,;10.49,-12.52,;11.81,-11.75,;13.14,-12.52,;13.14,-14.07,;11.81,-14.83,;10.48,-14.06,;7.27,-9.85,;5.78,-9.46,;6.23,-7.91,;1.17,-10.26,;2.19,-9.23,;2.17,-11.09,;-.1,-11.65,;-1.8,-11.36,;-3.44,-12.03,;-3.76,-13.06,;-2.23,-13.56,;-.7,-12.96,;1.2,-12.39,;3.43,-12.9,;4.59,-14.2,;6.56,-14.2,;7.22,-12.96,;5.94,-11.68,;4.14,-11.68,;2.82,-8.09,;1.88,-7.17,;3.95,-7.43,;3.93,-6.11,;5.06,-5.45,;4.94,-4.14,;5.9,-3.26,;7.2,-3.43,;7.85,-4.56,;7.38,-5.78,;6.14,-6.17,;12.72,-11.46,;14.06,-12.23,;15.39,-11.46,;14.81,-13.58,;14.1,-15.12,;16.36,-13.58,)|
Structure:
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