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GPCR

NameGastrin-releasing peptide receptor
SpeciesHomo sapiens (Human)
GeneGRPR
SynonymGRP-R
GRP-preferring bombesin receptor
gastrin-releasing peptide receptor
BB2 receptor
BB2
DiseaseSolid tumours
Breast cancer
Cancer
Irritable bowel syndrome
Length384
Amino acid sequenceMALNDCFLLNLEVDHFMHCNISSHSADLPVNDDWSHPGILYVIPAVYGVIILIGLIGNITLIKIFCTVKSMRNVPNLFISSLALGDLLLLITCAPVDASRYLADRWLFGRIGCKLIPFIQLTSVGVSVFTLTALSADRYKAIVRPMDIQASHALMKICLKAAFIWIISMLLAIPEAVFSDLHPFHEESTNQTFISCAPYPHSNELHPKIHSMASFLVFYVIPLSIISVYYYFIAKNLIQSAYNLPVEGNIHVKKQIESRKRLAKTVLVFVGLFAFCWLPNHVIYLYRSYHYSEVDTSMLHFVTSICARLLAFTNSCVNPFALYLLSKSFRKQFNTQLLCCQPGLIIRSHSTGRSTTCMTSLKSTNPSVATFSLINGNICHERYV
UniProtP30550
Protein Data BankN/A
GPCR-HGmod modelP30550
3D structure modelThis predicted structure model is from GPCR-EXP P30550.
BioLiPN/A
Therapeutic Target DatabaseT99816
ChEMBLCHEMBL4959
IUPHAR39
DrugBankN/A

Ligand

NameCHEMBL1907865
Molecular formulaC35H42N4O2
IUPAC name(2R)-2-[[2,6-di(propan-2-yl)phenyl]carbamoylamino]-3-(1H-indol-3-yl)-2-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
Molecular weight550.747
Hydrogen bond acceptor2
Hydrogen bond donor4
XlogP7.1
SynonymsBDBM50366467
Inchi KeyBCUIXRZIPCRVGV-NOUYKBLCSA-N
Inchi IDInChI=1S/C35H42N4O2/c1-22(2)26-16-11-17-27(23(3)4)32(26)38-34(41)39-35(5,20-25-21-36-30-18-9-8-15-29(25)30)33(40)37-31-19-10-13-24-12-6-7-14-28(24)31/h6-9,11-12,14-18,21-23,31,36H,10,13,19-20H2,1-5H3,(H,37,40)(H2,38,39,41)/t31?,35-/m1/s1
PubChem CID57402754
ChEMBLCHEMBL1907865
IUPHARN/A
BindingDB50366467
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
Ki<10000.0 nM, Bioorg. Med. Chem. Lett., (1996) 6:21:2617BindingDB,ChEMBL

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