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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

NameCHEMBL3928975
Molecular formulaC71H97N19O18S
IUPAC name2-[4-[2-[[2-[4-[[(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]-1-oxo-3-phenylpropan-2-yl]amino]-3-(1H-imidazol-4-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]carbamoyl]anilino]-2-oxoethyl]amino]-2-oxoethyl]-7,10-bis(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
Molecular weight1536.73
Hydrogen bond acceptor24
Hydrogen bond donor17
XlogP-7.7
SynonymsSCHEMBL16301401
Inchi KeyBZDUDYQONYSTRB-YOXYJPSXSA-N
Inchi IDInChI=1S/C71H97N19O18S/c1-42(2)63(71(108)77-36-58(93)81-55(32-48-34-74-41-78-48)70(107)84-53(30-44-10-6-5-7-11-44)69(106)82-51(64(73)101)20-29-109-4)86-65(102)43(3)79-68(105)54(31-46-33-75-50-13-9-8-12-49(46)50)85-67(104)52(18-19-56(72)91)83-66(103)45-14-16-47(17-15-45)80-57(92)35-76-59(94)37-87-21-23-88(38-60(95)96)25-27-90(40-62(99)100)28-26-89(24-22-87)39-61(97)98/h5-17,33-34,41-43,51-55,63,75H,18-32,35-40H2,1-4H3,(H2,72,91)(H2,73,101)(H,74,78)(H,76,94)(H,77,108)(H,79,105)(H,80,92)(H,81,93)(H,82,106)(H,83,103)(H,84,107)(H,85,104)(H,86,102)(H,95,96)(H,97,98)(H,99,100)/t43-,51-,52-,53-,54-,55-,63-/m0/s1
PubChem CID117745222
ChEMBLCHEMBL3928975
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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