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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

NameCHEMBL3963000
Molecular formulaC62H89N17O16S
IUPAC name2-[4-[2-[[(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]-1-oxo-3-phenylpropan-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]-2-oxoethyl]-7,10-bis(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
Molecular weight1360.56
Hydrogen bond acceptor22
Hydrogen bond donor15
XlogP-7.9
SynonymsN/A
Inchi KeyTWJHRVDBFOQLKH-NGHRJIQNSA-N
Inchi IDInChI=1S/C62H89N17O16S/c1-37(2)55(62(95)67-31-50(81)71-48(28-41-30-65-36-68-41)61(94)73-46(26-39-10-6-5-7-11-39)60(93)72-44(56(64)89)16-25-96-4)75-57(90)38(3)69-59(92)47(27-40-29-66-43-13-9-8-12-42(40)43)74-58(91)45(14-15-49(63)80)70-51(82)32-76-17-19-77(33-52(83)84)21-23-79(35-54(87)88)24-22-78(20-18-76)34-53(85)86/h5-13,29-30,36-38,44-48,55,66H,14-28,31-35H2,1-4H3,(H2,63,80)(H2,64,89)(H,65,68)(H,67,95)(H,69,92)(H,70,82)(H,71,81)(H,72,93)(H,73,94)(H,74,91)(H,75,90)(H,83,84)(H,85,86)(H,87,88)/t38-,44-,45-,46-,47-,48-,55-/m0/s1
PubChem CID134152521
ChEMBLCHEMBL3963000
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
IC50161.0 nMNoneChEMBL

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