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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

NameCHEMBL3906914
Molecular formulaC69H110N22O18S2
IUPAC name(2S)-2-[[(2S)-2-[[2-[4-[2-[[2-[[(2R)-3-(acetamidomethylsulfanyl)-2-[[(2S)-2-[[2-(dimethylamino)acetyl]amino]-3-hydroxypropanoyl]amino]propanoyl]amino]acetyl]amino]ethyl]piperazin-1-yl]acetyl]amino]-3-hydroxypropanoyl]amino]-N-[(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]pentanediamide
Molecular weight1599.9
Hydrogen bond acceptor24
Hydrogen bond donor20
XlogP-4.6
SynonymsN/A
Inchi KeyDZPSZIFNCZVOKB-USAPKUQSSA-N
Inchi IDInChI=1S/C69H110N22O18S2/c1-38(2)24-48(65(105)83-46(60(71)100)16-23-110-9)85-66(106)50(26-43-28-72-36-77-43)80-56(97)30-76-69(109)59(39(3)4)88-61(101)40(5)79-64(104)49(25-42-27-74-45-13-11-10-12-44(42)45)86-63(103)47(14-15-54(70)95)84-67(107)51(33-92)82-58(99)32-91-21-19-90(20-22-91)18-17-73-55(96)29-75-62(102)53(35-111-37-78-41(6)94)87-68(108)52(34-93)81-57(98)31-89(7)8/h10-13,27-28,36,38-40,46-53,59,74,92-93H,14-26,29-35,37H2,1-9H3,(H2,70,95)(H2,71,100)(H,72,77)(H,73,96)(H,75,102)(H,76,109)(H,78,94)(H,79,104)(H,80,97)(H,81,98)(H,82,99)(H,83,105)(H,84,107)(H,85,106)(H,86,103)(H,87,108)(H,88,101)/t40-,46-,47-,48-,49-,50-,51-,52-,53-,59-/m0/s1
PubChem CID134135762
ChEMBLCHEMBL3906914
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
IC5025.0 nMNoneChEMBL

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