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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

NameCHEMBL124719
Molecular formulaC42H50N8O13S2
IUPAC name(3S)-4-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-3-[[(2S)-2-[[(2S)-2-[3-[[(2S)-2-(carboxyamino)-3-(4-sulfophenyl)propanoyl]amino]propanoylamino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methylsulfanylbutanoyl]amino]-4-oxobutanoic acid
Molecular weight939.025
Hydrogen bond acceptor14
Hydrogen bond donor11
XlogP0.6
SynonymsBDBM50003198
N-(1-Carbamoyl-2-phenyl-ethyl)-3-{2-[2-{3-[2-carboxyamino-3-(4-sulfo-phenyl)-propionylamino]-propionylamino}-3-(1H-indol-3-yl)-propionylamino]-4-methylsulfanyl-butyrylamino}-succinamic acid
Inchi KeyAGDKSTMQYUMWBX-LJADHVKFSA-N
Inchi IDInChI=1S/C42H50N8O13S2/c1-64-18-16-30(39(56)49-34(22-36(52)53)41(58)48-31(37(43)54)19-24-7-3-2-4-8-24)47-40(57)33(21-26-23-45-29-10-6-5-9-28(26)29)46-35(51)15-17-44-38(55)32(50-42(59)60)20-25-11-13-27(14-12-25)65(61,62)63/h2-14,23,30-34,45,50H,15-22H2,1H3,(H2,43,54)(H,44,55)(H,46,51)(H,47,57)(H,48,58)(H,49,56)(H,52,53)(H,59,60)(H,61,62,63)/t30-,31-,32-,33-,34-/m0/s1
PubChem CID44348835
ChEMBLCHEMBL124719
IUPHARN/A
BindingDB50003198
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
IC503600.0 nMPMID1433191BindingDB,ChEMBL

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