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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

NameCHEMBL3889538
Molecular formulaC73H106N20O18S
IUPAC name2-[4-[2-[4-[3-[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]-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]-2-oxoethyl]-2-oxobenzimidazol-1-yl]piperidin-1-yl]-2-oxoethyl]-7,10-bis(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
Molecular weight1583.83
Hydrogen bond acceptor24
Hydrogen bond donor15
XlogP-7.4
SynonymsN/A
Inchi KeyQSSQSALZTGEXBT-ARTAVBMCSA-N
Inchi IDInChI=1S/C73H106N20O18S/c1-43(2)31-53(70(108)83-51(66(75)104)19-30-112-6)84-71(109)55(33-47-35-76-42-79-47)82-59(95)36-78-72(110)65(44(3)4)86-67(105)45(5)80-69(107)54(32-46-34-77-50-12-8-7-11-49(46)50)85-68(106)52(15-16-58(74)94)81-60(96)37-92-56-13-9-10-14-57(56)93(73(92)111)48-17-20-91(21-18-48)61(97)38-87-22-24-88(39-62(98)99)26-28-90(41-64(102)103)29-27-89(25-23-87)40-63(100)101/h7-14,34-35,42-45,48,51-55,65,77H,15-33,36-41H2,1-6H3,(H2,74,94)(H2,75,104)(H,76,79)(H,78,110)(H,80,107)(H,81,96)(H,82,95)(H,83,108)(H,84,109)(H,85,106)(H,86,105)(H,98,99)(H,100,101)(H,102,103)/t45-,51-,52-,53-,54-,55-,65-/m0/s1
PubChem CID134131431
ChEMBLCHEMBL3889538
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
IC501.7 nMNoneChEMBL

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