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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

NameCHEMBL3985283
Molecular formulaC72H101N19O18S
IUPAC name2-[4-[2-[[2-[[6-[[(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]carbamoyl]naphthalen-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]-7,10-bis(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
Molecular weight1552.78
Hydrogen bond acceptor24
Hydrogen bond donor17
XlogP-6.7
SynonymsN/A
Inchi KeyGQQQHHKTOZNOIZ-KZUDXLDBSA-N
Inchi IDInChI=1S/C72H101N19O18S/c1-41(2)27-54(70(107)83-52(65(74)102)17-26-110-6)85-71(108)56(31-49-33-75-40-79-49)82-59(94)35-78-72(109)64(42(3)4)87-66(103)43(5)80-69(106)55(30-47-32-76-51-10-8-7-9-50(47)51)86-68(105)53(15-16-57(73)92)84-67(104)46-12-11-45-29-48(14-13-44(45)28-46)81-58(93)34-77-60(95)36-88-18-20-89(37-61(96)97)22-24-91(39-63(100)101)25-23-90(21-19-88)38-62(98)99/h7-14,28-29,32-33,40-43,52-56,64,76H,15-27,30-31,34-39H2,1-6H3,(H2,73,92)(H2,74,102)(H,75,79)(H,77,95)(H,78,109)(H,80,106)(H,81,93)(H,82,94)(H,83,107)(H,84,104)(H,85,108)(H,86,105)(H,87,103)(H,96,97)(H,98,99)(H,100,101)/t43-,52-,53-,54-,55-,56-,64-/m0/s1
PubChem CID134157296
ChEMBLCHEMBL3985283
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
IC503.0 nMNoneChEMBL

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