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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

NameCHEMBL127397
Molecular formulaC30H34N4O3
IUPAC nameN-tert-butyl-2-[(3R,5R)-3-[(3-methylphenyl)carbamoylamino]-2-oxo-5-phenyl-4,5-dihydro-3H-1-benzazepin-1-yl]acetamide
Molecular weight498.627
Hydrogen bond acceptor3
Hydrogen bond donor3
XlogP4.6
SynonymsBDBM50037868
N-tert-Butyl-2-[(3R,5R)-2-oxo-5-phenyl-3-(3-m-tolyl-ureido)-2,3,4,5-tetrahydro-benzo[b]azepin-1-yl]-acetamide
N-tert-Butyl-2-[[2,3,4,5-tetrahydro-2-oxo-5alpha-phenyl-3alpha-[[[(3-methylphenyl)amino]carbonyl]amino]-1H-1-benzazepin]-1-yl]acetamide
Inchi KeyALSNOSFKYCYLJH-JWQCQUIFSA-N
Inchi IDInChI=1S/C30H34N4O3/c1-20-11-10-14-22(17-20)31-29(37)32-25-18-24(21-12-6-5-7-13-21)23-15-8-9-16-26(23)34(28(25)36)19-27(35)33-30(2,3)4/h5-17,24-25H,18-19H2,1-4H3,(H,33,35)(H2,31,32,37)/t24-,25-/m1/s1
PubChem CID10255357
ChEMBLCHEMBL127397
IUPHARN/A
BindingDB50037868
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC5010.1 nMPMID7966138BindingDB,ChEMBL

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