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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

NameCHEMBL3890803
Molecular formulaC71H98N18O18S
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]-1-oxo-3-phenylpropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamoyl]anilino]-2-oxoethyl]amino]-2-oxoethyl]-7,10-bis(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
Molecular weight1523.73
Hydrogen bond acceptor24
Hydrogen bond donor17
XlogP-6.8
SynonymsSCHEMBL16301410
Inchi KeyGKEYFSAGBVJVAX-OUQQEOSESA-N
Inchi IDInChI=1S/C71H98N18O18S/c1-42(2)29-53(82-66(102)46-15-17-48(18-16-46)79-57(91)35-75-59(93)37-86-20-22-87(38-60(94)95)24-26-89(40-62(98)99)27-25-88(23-21-86)39-61(96)97)68(104)84-55(31-47-33-74-51-14-10-9-13-50(47)51)67(103)78-43(3)65(101)85-63(44(4)90)71(107)76-36-58(92)80-56(32-49-34-73-41-77-49)70(106)83-54(30-45-11-7-6-8-12-45)69(105)81-52(64(72)100)19-28-108-5/h6-18,33-34,41-44,52-56,63,74,90H,19-32,35-40H2,1-5H3,(H2,72,100)(H,73,77)(H,75,93)(H,76,107)(H,78,103)(H,79,91)(H,80,92)(H,81,105)(H,82,102)(H,83,106)(H,84,104)(H,85,101)(H,94,95)(H,96,97)(H,98,99)/t43-,44?,52-,53-,54-,55-,56-,63-/m0/s1
PubChem CID117745230
ChEMBLCHEMBL3890803
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
IC5028.0 nMNoneChEMBL

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