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GPCR

NameNeuromedin-B receptor
SpeciesRattus norvegicus (Rat)
GeneNmbr
SynonymBB1
BB1 receptor
neuromedin B receptor
neuromedin-B-preferring bombesin receptor
NMB-R
DiseaseN/A for non-human GPCRs
Length390
Amino acid sequenceMPPRSLPNLSLPTEASESELEPEVWENDFLPDSDGTTAELVIRCVIPSLYLIIISVGLLGNIMLVKIFLTNSTMRSVPNIFISNLAAGDLLLLLTCVPVDASRYFFDEWVFGKLGCKLIPAIQLTSVGVSVFTLTALSADRYRAIVNPMDMQTSGVVLWTSLKAVGIWVVSVLLAVPEAVFSEVARIGSSDNSSFTACIPYPQTDELHPKIHSVLIFLVYFLIPLVIISIYYYHIAKTLIRSAHNLPGEYNEHTKKQMETRKRLAKIVLVFVGCFVFCWFPNHILYLYRSFNYKEIDPSLGHMIVTLVARVLSFSNSCVNPFALYLLSESFRKHFNSQLCCGQKSYPERSTSYLLSSSAVRMTSLKSNAKNVVTNSVLLNGHSTKQEIAL
UniProtP24053
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL4440
IUPHAR38
DrugBankN/A

Ligand

NameCHEMBL3894546
Molecular formulaC87H115N19O18S
IUPAC name2-[4-[2-[[(2S)-1-[[(2S)-1-[[(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]amino]-1-oxo-3-(4-phenylphenyl)propan-2-yl]amino]-3-naphthalen-1-yl-1-oxopropan-2-yl]amino]-2-oxoethyl]-7,10-bis(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
Molecular weight1747.05
Hydrogen bond acceptor24
Hydrogen bond donor17
XlogP-2.6
SynonymsN/A
Inchi KeyINUKFXRWNDKECM-VIFSQCHLSA-N
Inchi IDInChI=1S/C87H115N19O18S/c1-52(2)39-67(83(120)97-65(79(89)116)29-38-125-6)99-86(123)71(43-61-45-90-51-93-61)95-73(108)46-92-87(124)78(53(3)4)102-80(117)54(5)94-82(119)70(42-60-44-91-64-22-13-12-21-63(60)64)101-81(118)66(27-28-72(88)107)98-84(121)68(40-55-23-25-57(26-24-55)56-15-8-7-9-16-56)100-85(122)69(41-59-19-14-18-58-17-10-11-20-62(58)59)96-74(109)47-103-30-32-104(48-75(110)111)34-36-106(50-77(114)115)37-35-105(33-31-103)49-76(112)113/h7-26,44-45,51-54,65-71,78,91H,27-43,46-50H2,1-6H3,(H2,88,107)(H2,89,116)(H,90,93)(H,92,124)(H,94,119)(H,95,108)(H,96,109)(H,97,120)(H,98,121)(H,99,123)(H,100,122)(H,101,118)(H,102,117)(H,110,111)(H,112,113)(H,114,115)/t54-,65-,66-,67-,68-,69-,70-,71-,78-/m0/s1
PubChem CID134136584
ChEMBLCHEMBL3894546
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
IC50210.9 nMNoneChEMBL

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