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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

NameCHEMBL3970735
Molecular formulaC62H96N20O17S2
IUPAC name(2S)-2-[[2-[[2-[[2-[[(2R)-3-(acetamidomethylsulfanyl)-2-[[(2S)-2-[[2-(dimethylamino)acetyl]amino]-3-hydroxypropanoyl]amino]propanoyl]amino]acetyl]amino]acetyl]amino]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 weight1457.69
Hydrogen bond acceptor21
Hydrogen bond donor19
XlogP-3.8
SynonymsN/A
Inchi KeyVEYWJVYKNCDSRA-OVQIWGQESA-N
Inchi IDInChI=1S/C62H96N20O17S2/c1-32(2)18-42(59(96)77-40(54(64)91)16-17-100-9)78-60(97)44(20-37-22-65-30-71-37)75-51(89)26-70-62(99)53(33(3)4)81-55(92)34(5)73-58(95)43(19-36-21-66-39-13-11-10-12-38(36)39)79-57(94)41(14-15-47(63)85)74-50(88)25-68-48(86)23-67-49(87)24-69-56(93)46(29-101-31-72-35(6)84)80-61(98)45(28-83)76-52(90)27-82(7)8/h10-13,21-22,30,32-34,40-46,53,66,83H,14-20,23-29,31H2,1-9H3,(H2,63,85)(H2,64,91)(H,65,71)(H,67,87)(H,68,86)(H,69,93)(H,70,99)(H,72,84)(H,73,95)(H,74,88)(H,75,89)(H,76,90)(H,77,96)(H,78,97)(H,79,94)(H,80,98)(H,81,92)/t34-,40-,41-,42-,43-,44-,45-,46-,53-/m0/s1
PubChem CID134153217
ChEMBLCHEMBL3970735
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
IC5020.2 nMNoneChEMBL

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