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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

NameCHEMBL115612
Molecular formulaC27H28N6O3
IUPAC name1-(3-aminophenyl)-3-[(3R)-1-(3,3-dimethyl-2-oxobutyl)-2-oxo-5-pyridin-2-yl-3H-1,4-benzodiazepin-3-yl]urea
Molecular weight484.56
Hydrogen bond acceptor6
Hydrogen bond donor3
XlogP3.2
SynonymsSCHEMBL1389112
BDBM50056086
PDSP1_000894
1-(3-Amino-phenyl)-3-[(R)-1-(3,3-dimethyl-2-oxo-butyl)-2-oxo-5-pyridin-2-yl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl]-urea
PDSP2_000880
Inchi KeyABJHMASUFPDZRW-DEOSSOPVSA-N
Inchi IDInChI=1S/C27H28N6O3/c1-27(2,3)22(34)16-33-21-13-5-4-11-19(21)23(20-12-6-7-14-29-20)31-24(25(33)35)32-26(36)30-18-10-8-9-17(28)15-18/h4-15,24H,16,28H2,1-3H3,(H2,30,32,36)/t24-/m0/s1
PubChem CID23844130
ChEMBLCHEMBL115612
IUPHARN/A
BindingDB50056086
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC500.43 nMPMID9022799BindingDB,ChEMBL

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