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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

NameCHEMBL3921363
Molecular formulaC69H110N22O20S2
IUPAC name(2S)-2-[[2-[[1-[[2-[2-[2-[[2-[[(2R)-3-(acetamidomethylsulfanyl)-2-[[(2S)-2-[[2-(dimethylamino)acetyl]amino]-3-hydroxypropanoyl]amino]propanoyl]amino]acetyl]amino]ethoxy]ethoxy]acetyl]amino]-3-amino-1-oxopropan-2-yl]amino]acetyl]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 weight1631.89
Hydrogen bond acceptor26
Hydrogen bond donor21
XlogP-5.6
SynonymsN/A
Inchi KeyGPADNTTXIAYDKO-CDNKSBOXSA-N
Inchi IDInChI=1S/C69H110N22O20S2/c1-37(2)22-47(65(105)85-45(60(72)100)16-21-112-9)86-66(106)49(24-42-27-73-35-79-42)83-56(97)30-78-69(109)59(38(3)4)90-61(101)39(5)81-64(104)48(23-41-26-75-44-13-11-10-12-43(41)44)87-63(103)46(14-15-53(71)94)82-55(96)29-76-50(25-70)67(107)89-58(99)33-111-20-19-110-18-17-74-54(95)28-77-62(102)52(34-113-36-80-40(6)93)88-68(108)51(32-92)84-57(98)31-91(7)8/h10-13,26-27,35,37-39,45-52,59,75-76,92H,14-25,28-34,36,70H2,1-9H3,(H2,71,94)(H2,72,100)(H,73,79)(H,74,95)(H,77,102)(H,78,109)(H,80,93)(H,81,104)(H,82,96)(H,83,97)(H,84,98)(H,85,105)(H,86,106)(H,87,103)(H,88,108)(H,90,101)(H,89,99,107)/t39-,45-,46-,47-,48-,49-,50?,51-,52-,59-/m0/s1
PubChem CID134139696
ChEMBLCHEMBL3921363
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
IC5038.0 nMNoneChEMBL

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