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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

NameCHEMBL3975022
Molecular formulaC69H98N20O17S
IUPAC name2-[4-[2-[[2-[4-[[(2S)-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]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]carbamoyl]anilino]-2-oxoethyl]amino]-2-oxoethyl]-7,10-bis(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
Molecular weight1511.73
Hydrogen bond acceptor24
Hydrogen bond donor17
XlogP-7.0
SynonymsSCHEMBL16301400
Inchi KeyHQOWSGCHFDUVDS-CKVPQDABSA-N
Inchi IDInChI=1S/C69H98N20O17S/c1-40(2)25-51(66(103)81-50(62(70)99)15-24-107-6)83-67(104)53(27-46-30-71-38-76-46)80-56(91)33-75-69(106)61(41(3)4)85-63(100)42(5)78-65(102)52(26-44-29-73-49-10-8-7-9-48(44)49)84-68(105)54(28-47-31-72-39-77-47)82-64(101)43-11-13-45(14-12-43)79-55(90)32-74-57(92)34-86-16-18-87(35-58(93)94)20-22-89(37-60(97)98)23-21-88(19-17-86)36-59(95)96/h7-14,29-31,38-42,50-54,61,73H,15-28,32-37H2,1-6H3,(H2,70,99)(H,71,76)(H,72,77)(H,74,92)(H,75,106)(H,78,102)(H,79,90)(H,80,91)(H,81,103)(H,82,101)(H,83,104)(H,84,105)(H,85,100)(H,93,94)(H,95,96)(H,97,98)/t42-,50-,51-,52-,53-,54-,61-/m0/s1
PubChem CID117745221
ChEMBLCHEMBL3975022
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
IC505.5 nMNoneChEMBL

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