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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

NameN-Acetyl-gastrin releasing peptide ethyl ester
Molecular formulaC43H60N12O9
IUPAC nameethyl (2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-(1H-imidazol-5-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]propanoyl]amino]-3-methylbutanoyl]amino]acetyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-methylpentanoate
Molecular weight889.028
Hydrogen bond acceptor11
Hydrogen bond donor10
XlogP1.8
SynonymsAc-Gastrin-releasing peptide(20-26)-OET[human]
2-[2-[2-(2-{2-[2-[2-Acetylamino-3-(3H-imidazol-4-yl)-propionylamino]-3-(1H-indol-3-yl)-propionylamino]-propionylamino}-3-methyl-butyrylamino)-acetylamino]-3-(3H-imidazol-4-yl)-propionylamino]-4-methyl-pentanoic acid ethyl ester
ethyl (2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-(1H-imidazol-5-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]propanoyl]amino]-3-methylbutanoyl]amino]acetyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-methylpentanoate
AC1NUT5Q
N-Acetyl-grp-och2-CH3
[ Show all ]
Inchi KeyXJDBEYLBPMSDAA-QQOSZXOGSA-N
Inchi IDInChI=1S/C43H60N12O9/c1-8-64-43(63)35(13-23(2)3)54-41(61)34(16-29-19-45-22-49-29)52-36(57)20-47-42(62)37(24(4)5)55-38(58)25(6)50-39(59)32(14-27-17-46-31-12-10-9-11-30(27)31)53-40(60)33(51-26(7)56)15-28-18-44-21-48-28/h9-12,17-19,21-25,32-35,37,46H,8,13-16,20H2,1-7H3,(H,44,48)(H,45,49)(H,47,62)(H,50,59)(H,51,56)(H,52,57)(H,53,60)(H,54,61)(H,55,58)/t25-,32-,33-,34-,35-,37-/m0/s1
PubChem CID5492433
ChEMBLCHEMBL2369372
IUPHARN/A
BindingDB50012300
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
IC503.9 nMPMID2066982BindingDB,ChEMBL
IC5020.0 nMPMID2066982ChEMBL

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