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GPCR

NameGastrin-releasing peptide receptor
SpeciesMus musculus (Mouse)
GeneGrpr
SynonymBB2
BB2 receptor
Gastrin-releasing peptide receptor
GRP-preferring bombesin receptor
GRP-R
DiseaseN/A for non-human GPCRs
Length384
Amino acid sequenceMAPNNCSHLNLDVDPFLSCNDTFNQSLSPPKMDNWFHPGFIYVIPAVYGLIIVIGLIGNITLIKIFCTVKSMRNVPNLFISSLALGDLLLLVTCAPVDASKYLADRWLFGRIGCKLIPFIQLTSVGVSVFTLTALSADRYKAIVRPMDIQASHALMKICLKAALIWIVSMLLAIPEAVFSDLHPFHVKDTNQTFISCAPYPHSNELHPKIHSMASFLVFYVIPLAIISVYYYFIARNLIQSAYNLPVEGNIHVKKQIESRKRLAKTVLVFVGLFAFCWLPNHVIYLYRSYHYSEVDTSMLHFVTSICARLLAFTNSCVNPFALYLLSKSFRKQFNTQLLCCQPGLMNRSHSTGRSTTCMTSFKSTNPSATFSLINRNICHEGYV
UniProtP21729
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL3596
IUPHAR39
DrugBankN/A

Ligand

NameCHEMBL386476
Molecular formulaC57H74N14O7
IUPAC name(2S)-N-[(2S)-1-[[(2S)-1-[(2S)-2-[[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]methyl]pyrrolidin-1-yl]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-2-[[(2S)-2-[[(2S)-2-[[(2S)-3-(1H-imidazol-5-yl)-2-(3-phenylpropanoylamino)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]propyl]amino]-3-methylbutanamide
Molecular weight1067.31
Hydrogen bond acceptor11
Hydrogen bond donor11
XlogP3.6
SynonymsBDBM50040318
PhCH2CH2(CO)His-Trp-Ala-(psi)Val-DAla-His-DPro(psi)Phe-NH2
Inchi KeyINSNWWDNVHAHMZ-YRAQHXCUSA-N
Inchi IDInChI=1S/C57H74N14O7/c1-35(2)51(56(77)67-37(4)53(74)70-49(27-42-31-60-34-65-42)57(78)71-23-13-18-43(71)32-62-46(52(58)73)24-39-16-9-6-10-17-39)63-28-36(3)66-54(75)47(25-40-29-61-45-20-12-11-19-44(40)45)69-55(76)48(26-41-30-59-33-64-41)68-50(72)22-21-38-14-7-5-8-15-38/h5-12,14-17,19-20,29-31,33-37,43,46-49,51,61-63H,13,18,21-28,32H2,1-4H3,(H2,58,73)(H,59,64)(H,60,65)(H,66,75)(H,67,77)(H,68,72)(H,69,76)(H,70,74)/t36-,37-,43-,46-,47-,48-,49-,51-/m0/s1
PubChem CID44359078
ChEMBLCHEMBL386476
IUPHARN/A
BindingDB50040318
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
Activity4.7e-08 -PMID8120863ChEMBL
IC50<1000.0 nMPMID8120863BindingDB,ChEMBL

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