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GPCR

NameGastrin-releasing peptide receptor
SpeciesRattus norvegicus (Rat)
GeneGrpr
SynonymBB2
BB2 receptor
gastrin-releasing peptide receptor
GRP-preferring bombesin receptor
GRP-R
DiseaseN/A for non-human GPCRs
Length384
Amino acid sequenceMDPNNCSHLNLEVDPFLSCNNTFNQTLNPPKMDNWFHPGIIYVIPAVYGLIIVIGLIGNITLIKIFCTVKSMRNVPNLFISSLALGDLLLLVTCAPVDASKYLADRWLFGRIGCKLIPFIQLTSVGVSVFTLTALSADRYKAIVRPMDIQASHALMKICLKAALIWIVSMLLAIPEAVFSDLHPFHVKDTNQTFISCAPYPHSNELHPKIHSMASFLVFYIIPLSIISVYYYFIARNLIQSAYNLPVEGNIHVKKQIESRKRLAKTVLVFVGLFAFCWLPNHVIYLYRSYHYSEVDTSMLHFITSICARLLAFTNSCVNPFALYLLSKSFRKQFNTQLLCCQPSLLNRSHSTGRSTTCMTSFKSTNPSATFSLINGNICHEGYV
UniProtP52500
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL4280
IUPHAR39
DrugBankN/A

Ligand

NameCHEMBL143860
Molecular formulaC40H61N11O7S
IUPAC name(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-(1H-indol-3-yl)propanoyl]amino]propanoyl]amino]-N-[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]amino]-4-methylpentan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]-3-methylbutanamide
Molecular weight840.058
Hydrogen bond acceptor10
Hydrogen bond donor10
XlogP1.6
SynonymsN/A
Inchi KeyQPFLTRCSEUJOHK-MREHFITLSA-N
Inchi IDInChI=1S/C40H61N11O7S/c1-22(2)14-28(19-44-31(36(41)54)12-13-59-7)49-39(57)33(16-27-18-42-21-46-27)50-34(53)20-45-40(58)35(23(3)4)51-37(55)24(5)47-38(56)32(48-25(6)52)15-26-17-43-30-11-9-8-10-29(26)30/h8-11,17-18,21-24,28,31-33,35,43-44H,12-16,19-20H2,1-7H3,(H2,41,54)(H,42,46)(H,45,58)(H,47,56)(H,48,52)(H,49,57)(H,50,53)(H,51,55)/t24-,28-,31-,32-,33-,35-/m0/s1
PubChem CID44361990
ChEMBLCHEMBL143860
IUPHARN/A
BindingDBN/A
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
Release4.7 %PMID1469698ChEMBL
Release4.8 %PMID1469698ChEMBL
Release16.1 %PMID1469698ChEMBL
Release17.8 %PMID1469698ChEMBL
Release17.9 %PMID1469698ChEMBL

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