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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

NameCHEMBL3911959
Molecular formulaC63H99N18O17S+
IUPAC name[2-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-2-oxoethyl]-dimethyl-[2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetyl]azanium
Molecular weight1412.65
Hydrogen bond acceptor23
Hydrogen bond donor15
XlogP-8.3
SynonymsN/A
Inchi KeyHQKAZVPPYCFTRC-QQAYPLQKSA-O
Inchi IDInChI=1S/C63H98N18O17S/c1-37(2)25-46(61(96)73-44(57(65)92)15-24-99-8)74-62(97)48(27-41-29-66-36-69-41)72-50(83)30-68-63(98)56(38(3)4)76-58(93)39(5)70-60(95)47(26-40-28-67-43-12-10-9-11-42(40)43)75-59(94)45(13-14-49(64)82)71-51(84)35-81(6,7)52(85)31-77-16-18-78(32-53(86)87)20-22-80(34-55(90)91)23-21-79(19-17-77)33-54(88)89/h9-12,28-29,36-39,44-48,56,67H,13-27,30-35H2,1-8H3,(H15-,64,65,66,68,69,70,71,72,73,74,75,76,82,83,84,86,87,88,89,90,91,92,93,94,95,96,97,98)/p+1/t39-,44-,45-,46-,47-,48-,56-/m0/s1
PubChem CID134132382
ChEMBLCHEMBL3911959
IUPHARN/A
BindingDBN/A
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
IC50<50.0 nMNoneChEMBL

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