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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

NameCHEMBL3974250
Molecular formulaC64H100N20O19S2
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]-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]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 weight1517.74
Hydrogen bond acceptor23
Hydrogen bond donor21
XlogP-5.1
SynonymsN/A
Inchi KeyXNRHGZCDDKNHLQ-LOBNYJLJSA-N
Inchi IDInChI=1S/C64H100N20O19S2/c1-32(2)18-42(59(98)77-40(54(66)93)16-17-104-9)79-60(99)44(20-37-22-67-30-71-37)74-50(90)24-70-64(103)53(33(3)4)83-55(94)34(5)73-58(97)43(19-36-21-68-39-13-11-10-12-38(36)39)80-57(96)41(14-15-49(65)89)78-63(102)47(28-87)81-61(100)45(26-85)75-51(91)23-69-56(95)48(29-105-31-72-35(6)88)82-62(101)46(27-86)76-52(92)25-84(7)8/h10-13,21-22,30,32-34,40-48,53,68,85-87H,14-20,23-29,31H2,1-9H3,(H2,65,89)(H2,66,93)(H,67,71)(H,69,95)(H,70,103)(H,72,88)(H,73,97)(H,74,90)(H,75,91)(H,76,92)(H,77,98)(H,78,102)(H,79,99)(H,80,96)(H,81,100)(H,82,101)(H,83,94)/t34-,40-,41-,42-,43-,44-,45-,46-,47-,48-,53-/m0/s1
PubChem CID134154031
ChEMBLCHEMBL3974250
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
IC5010.4 nMNoneChEMBL

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