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GPCR

NameGastrin/cholecystokinin type B receptor
SpeciesRattus norvegicus (Rat)
GeneCckbr
SynonymCHOLREC
Cholecystokinin-2 receptor
CCK2-R
CCK2 receptor
CCK-BR
[ Show all ]
DiseaseN/A for non-human GPCRs
Length452
Amino acid sequenceMELLKLNRSVQGPGPGSGSSLCRPGVSLLNSSSAGNLSCDPPRIRGTGTRELEMAIRITLYAVIFLMSVGGNVLIIVVLGLSRRLRTVTNAFLLSLAVSDLLLAVACMPFTLLPNLMGTFIFGTVICKAISYLMGVSVSVSTLNLVAIALERYSAICRPLQARVWQTRSHAARVILATWLLSGLLMVPYPVYTMVQPVGPRVLQCMHRWPSARVQQTWSVLLLLLLFFIPGVVIAVAYGLISRELYLGLHFDGENDSETQSRARNQGGLPGGAAPGPVHQNGGCRPVTSVAGEDSDGCCVQLPRSRLEMTTLTTPTPGPVPGPRPNQAKLLAKKRVVRMLLVIVLLFFLCWLPVYSVNTWRAFDGPGAQRALSGAPISFIHLLSYVSACVNPLVYCFMHRRFRQACLDTCARCCPRPPRARPQPLPDEDPPTPSIASLSRLSYTTISTLGPG
UniProtP30553
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL3508
IUPHAR77
DrugBankN/A

Ligand

NameCHEMBL318475
Molecular formulaC37H40N4O7
IUPAC name2-[[(3R)-2-[(2R,5S)-1-[(2R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydroindole-2-carbonyl]-5-phenylpyrrolidine-2-carbonyl]-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]acetic acid
Molecular weight652.748
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP4.3
SynonymsSCHEMBL9542782
(R)-2-{(2R,5S)-2-[(R)-3-(Carboxymethyl-carbamoyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-5-phenyl-pyrrolidine-1-carbonyl}-2,3-dihydro-indole-1-carboxylic acid tert-butyl ester
BDBM50288463
Inchi KeyCVNADDFZCBWJEZ-UJOGNLFBSA-N
Inchi IDInChI=1S/C37H40N4O7/c1-37(2,3)48-36(47)41-27-16-10-9-14-25(27)20-31(41)35(46)40-28(23-11-5-4-6-12-23)17-18-29(40)34(45)39-22-26-15-8-7-13-24(26)19-30(39)33(44)38-21-32(42)43/h4-16,28-31H,17-22H2,1-3H3,(H,38,44)(H,42,43)/t28-,29+,30+,31+/m0/s1
PubChem CID44331826
ChEMBLCHEMBL318475
IUPHARN/A
BindingDB50288463
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Experimental Data

ParameterValueReferenceDatabase source
IC5027.0 nM, Bioorg. Med. Chem. Lett., (1996) 6:24:2971BindingDB,ChEMBL

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