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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

NameCHEMBL410783
Molecular formulaC58H72N14O8
IUPAC name(2S)-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2R)-1-[[(2S)-1-[(2R)-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]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-2-phenylcyclopropane-1-carboxamide
Molecular weight1093.3
Hydrogen bond acceptor11
Hydrogen bond donor11
XlogP3.3
SynonymsBDBM50040299
cyclopropylbenzene(CO)His-Trp-Ala-Val-DAla-His-DPro(psi)Phe-NH2
Inchi KeyPRYZTLPJFLNJDS-MKJRTOFZSA-N
Inchi IDInChI=1S/C58H72N14O8/c1-33(2)50(57(79)67-34(3)52(74)70-49(25-40-29-61-32-65-40)58(80)72-21-13-18-41(72)30-63-46(51(59)73)22-36-14-7-5-8-15-36)71-53(75)35(4)66-55(77)47(23-38-27-62-45-20-12-11-19-42(38)45)69-56(78)48(24-39-28-60-31-64-39)68-54(76)44-26-43(44)37-16-9-6-10-17-37/h5-12,14-17,19-20,27-29,31-35,41,43-44,46-50,62-63H,13,18,21-26,30H2,1-4H3,(H2,59,73)(H,60,64)(H,61,65)(H,66,77)(H,67,79)(H,68,76)(H,69,78)(H,70,74)(H,71,75)/t34-,35+,41-,43-,44?,46+,47+,48+,49+,50+/m1/s1
PubChem CID44358844
ChEMBLCHEMBL410783
IUPHARN/A
BindingDB50040299
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
Activity2e-10 -PMID8120863ChEMBL
IC500.03 nMPMID8120863BindingDB,ChEMBL
IC500.049 nMPMID8120863BindingDB
IC500.049 nMPMID8120863ChEMBL

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