Reaction Details Report a problem with these data
Target
Cholecystokinin receptor type A
Ligand
BDBM50470640
Substrate
n/a
Meas. Tech.
ChEMBL_49874 (CHEMBL857786)
Ki
447±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:
BDBM50470640
Synonyms:
CHEMBL443028
Type:
Small organic molecule
Emp. Form.:
C45H38N4O7
Mol. Mass.:
746.8058
SMILES:
OC(=O)c1cc(NC(=O)[C@H](Cc2ccccc2)NC(=O)C2C(C3c4ccccc4C2c2ccccc32)C(=O)NCCc2c[nH]c3ccccc23)cc(c1)C(O)=O |wD:9.9,TLB:18:20:30.35:23.28,34:35:20.21:23.28,24:23:20.21:30.35,36:21:30.35:23.28,THB:27:28:20.21:30.35,(14.13,-15.15,;14.84,-13.6,;16.39,-13.6,;14.09,-12.26,;12.74,-11.48,;12.76,-9.95,;11.42,-9.18,;9.87,-9.18,;9.48,-7.67,;8.79,-10.27,;9.19,-11.77,;10.51,-12.55,;10.5,-14.09,;11.84,-14.86,;13.16,-14.1,;13.16,-12.55,;11.84,-11.77,;7.28,-9.87,;5.79,-9.48,;6.25,-7.93,;1.17,-10.27,;2.2,-9.25,;2.18,-11.11,;4.15,-11.71,;5.96,-11.71,;7.24,-12.99,;6.57,-14.23,;4.6,-14.23,;3.44,-12.92,;1.21,-12.42,;-.7,-12.99,;-2.23,-13.58,;-3.77,-13.09,;-3.45,-12.05,;-1.8,-11.38,;-.1,-11.67,;2.82,-8.11,;1.88,-7.18,;3.95,-7.44,;3.94,-6.12,;5.07,-5.46,;5.05,-4.15,;6.11,-3.39,;5.7,-2.14,;4.39,-2.16,;3.52,-1.21,;2.24,-1.49,;1.85,-2.72,;2.72,-3.68,;3.98,-3.4,;14.09,-9.18,;15.42,-9.95,;15.42,-11.48,;16.77,-9.15,;18.1,-9.93,;16.75,-7.6,)|
Structure:
Search PDB for entries with ligand similarity: