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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

NameCHEMBL70883
Molecular formulaC28H23FN4O4
IUPAC nameethyl 2-[5-(2-fluorophenyl)-3-(1H-indole-2-carbonylamino)-2-oxo-3H-1,4-benzodiazepin-1-yl]acetate
Molecular weight498.514
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP4.5
SynonymsSCHEMBL9865119
BDBM50019178
{5-(2-Fluoro-phenyl)-3-[(1H-indole-2-carbonyl)-amino]-2-oxo-2,3-dihydro-benzo[e][1,4]diazepin-1-yl}-acetic acid ethyl ester: 0.1C4H10O
Inchi KeyATZKJWWUDVCPPQ-UHFFFAOYSA-N
Inchi IDInChI=1S/C28H23FN4O4/c1-2-37-24(34)16-33-23-14-8-5-11-19(23)25(18-10-4-6-12-20(18)29)31-26(28(33)36)32-27(35)22-15-17-9-3-7-13-21(17)30-22/h3-15,26,30H,2,16H2,1H3,(H,32,35)
PubChem CID14208237
ChEMBLCHEMBL70883
IUPHARN/A
BindingDB50019178
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC50120.0 nMPMID2848124BindingDB,ChEMBL

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