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GPCR

NameGastrin/cholecystokinin type B receptor
SpeciesBos taurus (Bovine)
GeneCCKBR
SynonymCCK-B receptor
CCK-BR
CCK2-R
Cholecystokinin-2 receptor
DiseaseN/A for non-human GPCRs
Length454
Amino acid sequenceMELLKPNRSVLGSGPGPGASLCRSGGPLLNGSGTGNLSCEPPRIRGAGTRELELAIRVTLYAVIFLMSVGGNVLIIVVLGLSRRLRTVTNAFLLSLAVSDLLLAVACMPFTLLPNLMGTFIFGTVVCKAVSYFMGVSVSVSTLSLVAIALERYSAICRPLQARVWQTRSHAARVIVATWMLSGLLMVPYPVYTAVQPAGPRVLQCMHRWPSARVRQTWSVLLLLLLFFVPGVVMAVAYGLISRELYLGLRFDGDSDSESQSRVGSQGGLPGGTGQGPAQANGRCRSETRLAGEDGDGCYVQLPRSRPALEMSALTAPTPGPGSGTRPAQAKLLAKKRVVRMLLVIVVLFFLCWLPVYSANTWRAFDGPGAHRALSGAPISFIHLLTYASACVNPLVYCFMHRRFRQACLDTCTRCCPRPPRARPRPLPDEDPPTPSIASLSRLSYTTISTLGPG
UniProtP79266
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL2720
IUPHARN/A
DrugBankN/A

Ligand

NameCHEMBL2079601
Molecular formulaC49H61N13O10S2
IUPAC name(3S)-3-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2R)-2-acetamido-3-[4-(2H-tetrazol-5-ylmethyl)phenyl]propanoyl]amino]-4-methylsulfanylbutanoyl]amino]acetyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methylsulfanylbutanoyl]amino]-4-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid
Molecular weight1056.23
Hydrogen bond acceptor15
Hydrogen bond donor11
XlogP1.5
SynonymsBDBM50406492
Inchi KeyJGKCWFOANMYOKQ-HPSWDUTRSA-N
Inchi IDInChI=1S/C49H61N13O10S2/c1-28(63)53-38(22-30-13-15-31(16-14-30)23-41-59-61-62-60-41)47(70)55-35(17-19-73-2)45(68)52-27-42(64)54-39(24-32-26-51-34-12-8-7-11-33(32)34)48(71)56-36(18-20-74-3)46(69)58-40(25-43(65)66)49(72)57-37(44(50)67)21-29-9-5-4-6-10-29/h4-16,26,35-40,51H,17-25,27H2,1-3H3,(H2,50,67)(H,52,68)(H,53,63)(H,54,64)(H,55,70)(H,56,71)(H,57,72)(H,58,69)(H,65,66)(H,59,60,61,62)/t35-,36-,37-,38+,39-,40-/m0/s1
PubChem CID14888722
ChEMBLCHEMBL2079601
IUPHARN/A
BindingDB50406492
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This ligand has more than 10 hydrogen bond acceptor.
This ligand is heavier than 500 daltons.

Experimental Data

ParameterValueReferenceDatabase source
IC5062.0 nMPMID2002454BindingDB,ChEMBL

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