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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

NameBDBM85483
Molecular formulaC49H69N11O11S
IUPAC nameN-[1-[[1-[[1-[[1-[[2-[[1-[[1-[(1-amino-4-methylsulfanyl-1-oxobutan-2-yl)amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-hydroxy-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]-4-methyl-1-oxopentan-2-yl]-5-oxopyrrolidine-2-carboxamide
Molecular weight1020.22
Hydrogen bond acceptor12
Hydrogen bond donor12
XlogP1.3
SynonymsCAS_5748287
NSC_5748287
Inchi KeyUIMIJUUMRLISQI-UHFFFAOYSA-N
Inchi IDInChI=1S/C49H69N11O11S/c1-26(2)20-35(57-44(66)34-16-17-39(62)54-34)46(68)59-37(22-30-23-51-32-15-11-10-14-31(30)32)45(67)53-28(5)43(65)60-41(27(3)4)49(71)52-24-40(63)55-38(25-61)48(70)58-36(21-29-12-8-7-9-13-29)47(69)56-33(42(50)64)18-19-72-6/h7-15,23,26-28,33-38,41,51,61H,16-22,24-25H2,1-6H3,(H2,50,64)(H,52,71)(H,53,67)(H,54,62)(H,55,63)(H,56,69)(H,57,66)(H,58,70)(H,59,68)(H,60,65)
PubChem CID22146593
ChEMBLN/A
IUPHARN/A
BindingDB85483
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
Ki47.0 nMPMID10353842BindingDB

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