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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

NameCHEMBL142536
Molecular formulaC48H70N12O7S
IUPAC name(2S)-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]-2-[[(2S)-2-[[(2S)-3-(1H-indol-3-yl)-2-[[(2R)-2-(methylamino)-3-phenylpropanoyl]amino]propanoyl]amino]propanoyl]amino]-3-methylbutanamide
Molecular weight959.225
Hydrogen bond acceptor11
Hydrogen bond donor11
XlogP3.2
SynonymsN/A
Inchi KeyZXXJKFCPDZJFQH-QVAHEDBMSA-N
Inchi IDInChI=1S/C48H70N12O7S/c1-28(2)19-34(25-53-37(43(49)62)17-18-68-7)57-47(66)40(22-33-24-51-27-55-33)58-41(61)26-54-48(67)42(29(3)4)60-44(63)30(5)56-46(65)39(21-32-23-52-36-16-12-11-15-35(32)36)59-45(64)38(50-6)20-31-13-9-8-10-14-31/h8-16,23-24,27-30,34,37-40,42,50,52-53H,17-22,25-26H2,1-7H3,(H2,49,62)(H,51,55)(H,54,67)(H,56,65)(H,57,66)(H,58,61)(H,59,64)(H,60,63)/t30-,34-,37-,38+,39-,40-,42-/m0/s1
PubChem CID44361739
ChEMBLCHEMBL142536
IUPHARN/A
BindingDBN/A
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
Release6.4 %PMID1469698ChEMBL
Release7.2 %PMID1469698ChEMBL
Release12.2 %PMID1469698ChEMBL
Release14.3 %PMID1469698ChEMBL
Release16.0 %PMID1469698ChEMBL
Release21.2 %PMID1469698ChEMBL

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