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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

NameBDBM85490
Molecular formulaC50H69N15O9
IUPAC name(2S)-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-[[(1S)-2-amino-1-cyano-2-oxoethyl]amino]-4-methylpentan-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]-2-[[(2R)-2-amino-3-phenylpropanoyl]amino]pentanediamide
Molecular weight1024.2
Hydrogen bond acceptor13
Hydrogen bond donor13
XlogP0.2
SynonymsDPhe6,Leu13,Psi(CH2NH),Cpa14-Bn(6-14)
Inchi KeyMUECHSOUQHGDJW-WQMOPFCMSA-N
Inchi IDInChI=1S/C50H69N15O9/c1-27(2)17-33(24-57-40(21-51)44(54)68)61-49(73)39(20-32-23-55-26-59-32)62-42(67)25-58-50(74)43(28(3)4)65-45(69)29(5)60-48(72)38(19-31-22-56-36-14-10-9-13-34(31)36)64-47(71)37(15-16-41(53)66)63-46(70)35(52)18-30-11-7-6-8-12-30/h6-14,22-23,26-29,33,35,37-40,43,56-57H,15-20,24-25,52H2,1-5H3,(H2,53,66)(H2,54,68)(H,55,59)(H,58,74)(H,60,72)(H,61,73)(H,62,67)(H,63,70)(H,64,71)(H,65,69)/t29-,33-,35+,37-,38-,39-,40-,43-/m0/s1
PubChem CID57340144
ChEMBLN/A
IUPHARN/A
BindingDB85490
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
Ki2700.0 nMPMID10353842BindingDB

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