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GPCR

NameGastrin-releasing peptide receptor
SpeciesMus musculus (Mouse)
GeneGrpr
SynonymBB2
BB2 receptor
Gastrin-releasing peptide receptor
GRP-preferring bombesin receptor
GRP-R
DiseaseN/A for non-human GPCRs
Length384
Amino acid sequenceMAPNNCSHLNLDVDPFLSCNDTFNQSLSPPKMDNWFHPGFIYVIPAVYGLIIVIGLIGNITLIKIFCTVKSMRNVPNLFISSLALGDLLLLVTCAPVDASKYLADRWLFGRIGCKLIPFIQLTSVGVSVFTLTALSADRYKAIVRPMDIQASHALMKICLKAALIWIVSMLLAIPEAVFSDLHPFHVKDTNQTFISCAPYPHSNELHPKIHSMASFLVFYVIPLAIISVYYYFIARNLIQSAYNLPVEGNIHVKKQIESRKRLAKTVLVFVGLFAFCWLPNHVIYLYRSYHYSEVDTSMLHFVTSICARLLAFTNSCVNPFALYLLSKSFRKQFNTQLLCCQPGLMNRSHSTGRSTTCMTSFKSTNPSATFSLINRNICHEGYV
UniProtP21729
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL3596
IUPHAR39
DrugBankN/A

Ligand

NameCHEMBL65893
Molecular formulaC42H60N12O7
IUPAC name(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-(1H-imidazol-5-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]propanoyl]amino]-N-[2-[[(2S)-1-(heptan-4-ylamino)-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]-3-methylbutanamide
Molecular weight845.019
Hydrogen bond acceptor9
Hydrogen bond donor10
XlogP1.7
Synonyms2-{2-[2-[2-Acetylamino-3-(3H-imidazol-4-yl)-propionylamino]-3-(1H-indol-3-yl)-propionylamino]-propionylamino}-N-{[2-(3H-imidazol-4-yl)-1-(1-propyl-butylcarbamoyl)-ethylcarbamoyl]-methyl}-3-methyl-butyramide
BDBM50012315
Inchi KeyNILFPYXOCUAFHU-CXGVEPOASA-N
Inchi IDInChI=1S/C42H60N12O7/c1-7-11-28(12-8-2)51-40(59)35(17-30-20-44-23-48-30)52-36(56)21-46-42(61)37(24(3)4)54-38(57)25(5)49-39(58)33(15-27-18-45-32-14-10-9-13-31(27)32)53-41(60)34(50-26(6)55)16-29-19-43-22-47-29/h9-10,13-14,18-20,22-25,28,33-35,37,45H,7-8,11-12,15-17,21H2,1-6H3,(H,43,47)(H,44,48)(H,46,61)(H,49,58)(H,50,55)(H,51,59)(H,52,56)(H,53,60)(H,54,57)/t25-,33-,34-,35-,37-/m0/s1
PubChem CID44307188
ChEMBLCHEMBL65893
IUPHARN/A
BindingDB50012315
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This ligand is heavier than 500 daltons.

Experimental Data

ParameterValueReferenceDatabase source
IC5018.0 nMPMID2066982BindingDB,ChEMBL
IC5080.0 nMPMID2066982BindingDB,ChEMBL

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