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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

NameCHEMBL3946856
Molecular formulaC67H107N21O18S2
IUPAC name(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2R)-3-(acetamidomethylsulfanyl)-2-[[(2S)-2-[[2-(dimethylamino)acetyl]amino]-3-hydroxypropanoyl]amino]propanoyl]amino]acetyl]amino]-6-aminohexanoyl]amino]-3-hydroxypropanoyl]amino]-N-[(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]pentanediamide
Molecular weight1558.84
Hydrogen bond acceptor23
Hydrogen bond donor21
XlogP-4.3
SynonymsN/A
Inchi KeyGIOLUCILWIPCPQ-KTSADDIUSA-N
Inchi IDInChI=1S/C67H107N21O18S2/c1-35(2)22-46(63(102)81-43(57(70)96)19-21-107-9)83-64(103)48(24-40-26-71-33-75-40)79-54(94)28-74-67(106)56(36(3)4)87-58(97)37(5)77-62(101)47(23-39-25-72-42-15-11-10-14-41(39)42)84-61(100)45(17-18-52(69)92)82-66(105)50(31-90)85-60(99)44(16-12-13-20-68)78-53(93)27-73-59(98)51(32-108-34-76-38(6)91)86-65(104)49(30-89)80-55(95)29-88(7)8/h10-11,14-15,25-26,33,35-37,43-51,56,72,89-90H,12-13,16-24,27-32,34,68H2,1-9H3,(H2,69,92)(H2,70,96)(H,71,75)(H,73,98)(H,74,106)(H,76,91)(H,77,101)(H,78,93)(H,79,94)(H,80,95)(H,81,102)(H,82,105)(H,83,103)(H,84,100)(H,85,99)(H,86,104)(H,87,97)/t37-,43-,44-,45-,46-,47-,48-,49-,50-,51-,56-/m0/s1
PubChem CID134147351
ChEMBLCHEMBL3946856
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
IC507.5 nMNoneChEMBL

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