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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

NameCHEMBL151276
Molecular formulaC34H45N5O7
IUPAC name(3S)-5-(benzylamino)-3-[[(2S)-2-[[(2R)-3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-4-methylpentanoyl]amino]-5-oxopentanoic acid
Molecular weight635.762
Hydrogen bond acceptor7
Hydrogen bond donor6
XlogP3.8
SynonymsBDBM50020571
4-Benzylcarbamoyl-3-{2-[2-tert-butoxycarbonylamino-3-(1H-indol-3-yl)-propionylamino]-4-methyl-pentanoylamino}-butyric acid
Inchi KeyCIDLHGBJZWCCQU-SAAIGDAKSA-N
Inchi IDInChI=1S/C34H45N5O7/c1-21(2)15-27(31(43)37-24(18-30(41)42)17-29(40)36-19-22-11-7-6-8-12-22)38-32(44)28(39-33(45)46-34(3,4)5)16-23-20-35-26-14-10-9-13-25(23)26/h6-14,20-21,24,27-28,35H,15-19H2,1-5H3,(H,36,40)(H,37,43)(H,38,44)(H,39,45)(H,41,42)/t24-,27-,28+/m0/s1
PubChem CID44366108
ChEMBLCHEMBL151276
IUPHARN/A
BindingDB50020571
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This ligand is heavier than 500 daltons.

Experimental Data

ParameterValueReferenceDatabase source
ED501.0 mg.kg-1PMID2918498ChEMBL

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