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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

NameCHEMBL3947283
Molecular formulaC70H111N21O19S2
IUPAC name(2S)-2-[[2-[2-[2-[[2-[4-[2-[[(2R)-3-(acetamidomethylsulfanyl)-2-[[(2S)-2-[[2-(dimethylamino)acetyl]amino]-3-hydroxypropanoyl]amino]propanoyl]amino]acetyl]piperazin-1-yl]acetyl]amino]ethoxy]ethoxy]acetyl]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 weight1614.91
Hydrogen bond acceptor24
Hydrogen bond donor18
XlogP-4.1
SynonymsN/A
Inchi KeyPSUSIQCKPIRFRU-XEVOCAJGSA-N
Inchi IDInChI=1S/C70H111N21O19S2/c1-40(2)26-50(67(105)84-48(62(72)100)16-25-111-9)85-68(106)52(28-45-30-73-38-78-45)82-56(95)31-76-70(108)61(41(3)4)88-63(101)42(5)80-66(104)51(27-44-29-75-47-13-11-10-12-46(44)47)86-65(103)49(14-15-55(71)94)81-59(98)36-110-24-23-109-22-17-74-57(96)34-90-18-20-91(21-19-90)60(99)32-77-64(102)54(37-112-39-79-43(6)93)87-69(107)53(35-92)83-58(97)33-89(7)8/h10-13,29-30,38,40-42,48-54,61,75,92H,14-28,31-37,39H2,1-9H3,(H2,71,94)(H2,72,100)(H,73,78)(H,74,96)(H,76,108)(H,77,102)(H,79,93)(H,80,104)(H,81,98)(H,82,95)(H,83,97)(H,84,105)(H,85,106)(H,86,103)(H,87,107)(H,88,101)/t42-,48-,49-,50-,51-,52-,53-,54-,61-/m0/s1
PubChem CID134147546
ChEMBLCHEMBL3947283
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
IC5012.1 nMNoneChEMBL

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