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GPCR

NameGastrin/cholecystokinin type B receptor
SpeciesHomo sapiens (Human)
GeneCCKBR
SynonymCCK-B receptor
CCK-B receptor {ECO:0000303|PubMed:8415658}
CCK-B/gastrin receptor
CCK-BR
gastrin/cholecystokinin type B receptor
[ Show all ]
DiseaseDiagnostic imaging
Duodenal ulcers
Gastroesophageal reflux disease
Gastrointestinal disease
Intestine cancer
[ Show all ]
Length447
Amino acid sequenceMELLKLNRSVQGTGPGPGASLCRPGAPLLNSSSVGNLSCEPPRIRGAGTRELELAIRITLYAVIFLMSVGGNMLIIVVLGLSRRLRTVTNAFLLSLAVSDLLLAVACMPFTLLPNLMGTFIFGTVICKAVSYLMGVSVSVSTLSLVAIALERYSAICRPLQARVWQTRSHAARVIVATWLLSGLLMVPYPVYTVVQPVGPRVLQCVHRWPSARVRQTWSVLLLLLLFFIPGVVMAVAYGLISRELYLGLRFDGDSDSDSQSRVRNQGGLPGAVHQNGRCRPETGAVGEDSDGCYVQLPRSRPALELTALTAPGPGSGSRPTQAKLLAKKRVVRMLLVIVVLFFLCWLPVYSANTWRAFDGPGAHRALSGAPISFIHLLSYASACVNPLVYCFMHRRFRQACLETCARCCPRPPRARPRALPDEDPPTPSIASLSRLSYTTISTLGPG
UniProtP32239
Protein Data BankN/A
GPCR-HGmod modelP32239
3D structure modelThis predicted structure model is from GPCR-EXP P32239.
BioLiPN/A
Therapeutic Target DatabaseT05849
ChEMBLCHEMBL298
IUPHAR77
DrugBankBE0001158

Ligand

NameCHEMBL22630
Molecular formulaC21H16FN3O4
IUPAC name(3S,4S)-1-(2-fluorophenyl)-5-oxo-4-(quinoline-3-carbonylamino)pyrrolidine-3-carboxylic acid
Molecular weight393.374
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP2.5
Synonyms(3S,4S)-1-(2-Fluoro-phenyl)-5-oxo-4-[(quinoline-3-carbonyl)-amino]-pyrrolidine-3-carboxylic acid
BDBM50280139
Inchi KeyAWUOWMONZJSVLQ-KSSFIOAISA-N
Inchi IDInChI=1S/C21H16FN3O4/c22-15-6-2-4-8-17(15)25-11-14(21(28)29)18(20(25)27)24-19(26)13-9-12-5-1-3-7-16(12)23-10-13/h1-10,14,18H,11H2,(H,24,26)(H,28,29)/t14-,18-/m0/s1
PubChem CID44458114
ChEMBLCHEMBL22630
IUPHARN/A
BindingDB50280139
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Experimental Data

ParameterValueReferenceDatabase source
IC50<10000.0 nM, Bioorg. Med. Chem. Lett., (1992) 2:10:1251BindingDB,ChEMBL

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