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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

NameCHEMBL2369388
Molecular formulaC46H68N12O8
IUPAC name(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]-N-[2-[[(2S)-3-(1H-imidazol-5-yl)-1-[[(2S)-4-methyl-1-(3-methylbutoxy)pentan-2-yl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]-3-methylbutanamide
Molecular weight917.126
Hydrogen bond acceptor10
Hydrogen bond donor10
XlogP3.1
SynonymsBDBM50012316
2-{2-[2-[2-Acetylamino-3-(3H-imidazol-4-yl)-propionylamino]-3-(1H-indol-3-yl)-propionylamino]-propionylamino}-N-({2-(3H-imidazol-4-yl)-1-[3-methyl-1-(3-methyl-butoxymethyl)-butylcarbamoyl]-ethylcarbamoyl}-methyl)-3-methyl-butyramide
Inchi KeyBNPBRPSRBCTNQA-CIXMYUOOSA-N
Inchi IDInChI=1S/C46H68N12O8/c1-26(2)13-14-66-23-34(15-27(3)4)55-44(63)39(18-33-21-48-25-52-33)56-40(60)22-50-46(65)41(28(5)6)58-42(61)29(7)53-43(62)37(16-31-19-49-36-12-10-9-11-35(31)36)57-45(64)38(54-30(8)59)17-32-20-47-24-51-32/h9-12,19-21,24-29,34,37-39,41,49H,13-18,22-23H2,1-8H3,(H,47,51)(H,48,52)(H,50,65)(H,53,62)(H,54,59)(H,55,63)(H,56,60)(H,57,64)(H,58,61)/t29-,34-,37-,38-,39-,41-/m0/s1
PubChem CID73351474
ChEMBLCHEMBL2369388
IUPHARN/A
BindingDB50012316
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
IC5011.0 nMPMID2066982BindingDB,ChEMBL
IC5032.0 nMPMID2066982BindingDB,ChEMBL

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