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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

NameCHEMBL3980433
Molecular formulaC67H106N20O17S
IUPAC name2-[4-[2-[2-[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]-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]piperazin-1-yl]ethylamino]-2-oxoethyl]-7,10-bis(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
Molecular weight1495.77
Hydrogen bond acceptor25
Hydrogen bond donor16
XlogP-9.0
SynonymsN/A
Inchi KeyVSBYFTODSOFZKG-DNCOJZTMSA-N
Inchi IDInChI=1S/C67H106N20O17S/c1-41(2)29-50(65(102)78-48(61(69)98)13-28-105-6)79-66(103)52(31-45-33-70-40-74-45)77-54(89)34-73-67(104)60(42(3)4)81-62(99)43(5)75-64(101)51(30-44-32-72-47-10-8-7-9-46(44)47)80-63(100)49(11-12-53(68)88)76-56(91)36-84-18-16-82(17-19-84)15-14-71-55(90)35-83-20-22-85(37-57(92)93)24-26-87(39-59(96)97)27-25-86(23-21-83)38-58(94)95/h7-10,32-33,40-43,48-52,60,72H,11-31,34-39H2,1-6H3,(H2,68,88)(H2,69,98)(H,70,74)(H,71,90)(H,73,104)(H,75,101)(H,76,91)(H,77,89)(H,78,102)(H,79,103)(H,80,100)(H,81,99)(H,92,93)(H,94,95)(H,96,97)/t43-,48-,49-,50-,51-,52-,60-/m0/s1
PubChem CID134157223
ChEMBLCHEMBL3980433
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
IC50114.0 nMNoneChEMBL

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