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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

NameCHEMBL3929807
Molecular formulaC77H121N19O18S
IUPAC name2-[4-[2-[[(2S)-1-[[(2S)-1-[[(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]-3-cyclohexyl-1-oxopropan-2-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]amino]-2-oxoethyl]-7,10-bis(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
Molecular weight1632.99
Hydrogen bond acceptor24
Hydrogen bond donor17
XlogP-3.2
SynonymsN/A
Inchi KeyIQYRFKJUTBLYCS-XZWCNCNUSA-N
Inchi IDInChI=1S/C77H121N19O18S/c1-46(2)33-57(73(110)87-55(69(79)106)23-32-115-6)89-76(113)61(37-52-39-80-45-83-52)85-63(98)40-82-77(114)68(47(3)4)92-70(107)48(5)84-72(109)60(36-51-38-81-54-20-14-13-19-53(51)54)91-71(108)56(21-22-62(78)97)88-75(112)59(35-50-17-11-8-12-18-50)90-74(111)58(34-49-15-9-7-10-16-49)86-64(99)41-93-24-26-94(42-65(100)101)28-30-96(44-67(104)105)31-29-95(27-25-93)43-66(102)103/h13-14,19-20,38-39,45-50,55-61,68,81H,7-12,15-18,21-37,40-44H2,1-6H3,(H2,78,97)(H2,79,106)(H,80,83)(H,82,114)(H,84,109)(H,85,98)(H,86,99)(H,87,110)(H,88,112)(H,89,113)(H,90,111)(H,91,108)(H,92,107)(H,100,101)(H,102,103)(H,104,105)/t48-,55-,56-,57-,58-,59-,60-,61-,68-/m0/s1
PubChem CID134138938
ChEMBLCHEMBL3929807
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
IC5022.0 nMNoneChEMBL

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