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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

NameCHEMBL3923123
Molecular formulaC70H114N22O17S2
IUPAC name(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2R)-3-(acetamidomethylsulfanyl)-2-[[(2S)-2-[[2-(dimethylamino)acetyl]amino]-3-hydroxypropanoyl]amino]propanoyl]amino]acetyl]amino]-6-aminohexanoyl]amino]-6-aminohexanoyl]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 weight1599.94
Hydrogen bond acceptor23
Hydrogen bond donor21
XlogP-3.5
SynonymsN/A
Inchi KeyURFIBAQPJJHOGO-DWAYOYGOSA-N
Inchi IDInChI=1S/C70H114N22O17S2/c1-38(2)26-50(67(106)85-46(60(74)99)22-25-110-9)88-68(107)52(28-43-30-75-36-79-43)83-57(97)32-78-70(109)59(39(3)4)91-61(100)40(5)81-66(105)51(27-42-29-76-45-17-11-10-16-44(42)45)89-65(104)49(20-21-55(73)95)87-64(103)48(19-13-15-24-72)86-63(102)47(18-12-14-23-71)82-56(96)31-77-62(101)54(35-111-37-80-41(6)94)90-69(108)53(34-93)84-58(98)33-92(7)8/h10-11,16-17,29-30,36,38-40,46-54,59,76,93H,12-15,18-28,31-35,37,71-72H2,1-9H3,(H2,73,95)(H2,74,99)(H,75,79)(H,77,101)(H,78,109)(H,80,94)(H,81,105)(H,82,96)(H,83,97)(H,84,98)(H,85,106)(H,86,102)(H,87,103)(H,88,107)(H,89,104)(H,90,108)(H,91,100)/t40-,46-,47-,48-,49-,50-,51-,52-,53-,54-,59-/m0/s1
PubChem CID134139924
ChEMBLCHEMBL3923123
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
IC506.4 nMNoneChEMBL

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