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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

NameCHEMBL3974709
Molecular formulaC69H101N19O18S
IUPAC name2-[4-[2-[2-[[4-[[(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]carbamoyl]benzoyl]amino]ethylamino]-2-oxoethyl]-7,10-bis(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
Molecular weight1516.74
Hydrogen bond acceptor24
Hydrogen bond donor17
XlogP-7.9
SynonymsSCHEMBL16301387
Inchi KeyOCYFHSSIZNBUGV-SEUBIJBUSA-N
Inchi IDInChI=1S/C69H101N19O18S/c1-40(2)29-51(67(104)80-49(61(71)98)17-28-107-6)82-68(105)53(31-46-33-72-39-77-46)79-55(90)34-76-69(106)60(41(3)4)84-62(99)42(5)78-66(103)52(30-45-32-75-48-10-8-7-9-47(45)48)83-65(102)50(15-16-54(70)89)81-64(101)44-13-11-43(12-14-44)63(100)74-19-18-73-56(91)35-85-20-22-86(36-57(92)93)24-26-88(38-59(96)97)27-25-87(23-21-85)37-58(94)95/h7-14,32-33,39-42,49-53,60,75H,15-31,34-38H2,1-6H3,(H2,70,89)(H2,71,98)(H,72,77)(H,73,91)(H,74,100)(H,76,106)(H,78,103)(H,79,90)(H,80,104)(H,81,101)(H,82,105)(H,83,102)(H,84,99)(H,92,93)(H,94,95)(H,96,97)/t42-,49-,50-,51-,52-,53-,60-/m0/s1
PubChem CID117745209
ChEMBLCHEMBL3974709
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
IC500.9 nMNoneChEMBL

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