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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

NameCHEMBL338056
Molecular formulaC41H48N8O13S2
IUPAC name(3S)-4-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-3-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-(carboxyamino)-3-(4-sulfophenyl)propanoyl]amino]acetyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methylsulfanylbutanoyl]amino]-4-oxobutanoic acid
Molecular weight924.998
Hydrogen bond acceptor14
Hydrogen bond donor11
XlogP0.4
SynonymsBDBM50003206
N-(1-Carbamoyl-2-phenyl-ethyl)-3-{2-[2-{2-[2-carboxyamino-3-(4-sulfo-phenyl)-propionylamino]-acetylamino}-3-(1H-indol-3-yl)-propionylamino]-4-methylsulfanyl-butyrylamino}-succinamic acid
Inchi KeyBJGHLQVSHDFEPC-ZTTXAYQISA-N
Inchi IDInChI=1S/C41H48N8O13S2/c1-63-16-15-29(38(55)48-33(20-35(51)52)40(57)47-30(36(42)53)17-23-7-3-2-4-8-23)46-39(56)32(19-25-21-43-28-10-6-5-9-27(25)28)45-34(50)22-44-37(54)31(49-41(58)59)18-24-11-13-26(14-12-24)64(60,61)62/h2-14,21,29-33,43,49H,15-20,22H2,1H3,(H2,42,53)(H,44,54)(H,45,50)(H,46,56)(H,47,57)(H,48,55)(H,51,52)(H,58,59)(H,60,61,62)/t29-,30-,31-,32-,33-/m0/s1
PubChem CID44348638
ChEMBLCHEMBL338056
IUPHARN/A
BindingDB50003206
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
IC501300.0 nMPMID1433191BindingDB,ChEMBL

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