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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

NameCHEMBL414356
Molecular formulaC57H69F3N14O8
IUPAC name(2S)-N-[(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]-2-[[(2S)-2-[[(2S)-2-[[(2S)-3-(1H-imidazol-5-yl)-2-[[2-[4-(trifluoromethyl)phenyl]acetyl]amino]propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]propanoyl]amino]-3-methylbutanamide
Molecular weight1135.26
Hydrogen bond acceptor14
Hydrogen bond donor11
XlogP4.0
Synonyms4-CF3PhCH2(CO)His-Trp-Ala-Val-DAla-His-DPro(psi)Phe-NH2
BDBM50040319
Inchi KeyBLVRWQCNRMXNHX-XUSCDXEWSA-N
Inchi IDInChI=1S/C57H69F3N14O8/c1-32(2)49(55(81)69-33(3)51(77)72-47(25-40-28-63-31-67-40)56(82)74-20-10-13-41(74)29-65-44(50(61)76)21-35-11-6-5-7-12-35)73-52(78)34(4)68-53(79)45(23-37-26-64-43-15-9-8-14-42(37)43)71-54(80)46(24-39-27-62-30-66-39)70-48(75)22-36-16-18-38(19-17-36)57(58,59)60/h5-9,11-12,14-19,26-28,30-34,41,44-47,49,64-65H,10,13,20-25,29H2,1-4H3,(H2,61,76)(H,62,66)(H,63,67)(H,68,79)(H,69,81)(H,70,75)(H,71,80)(H,72,77)(H,73,78)/t33-,34+,41-,44+,45+,46+,47+,49+/m1/s1
PubChem CID10034212
ChEMBLCHEMBL414356
IUPHARN/A
BindingDB50040319
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-07 -PMID8120863ChEMBL
IC503.7 nMPMID8120863BindingDB,ChEMBL

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