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GPCR

NameNeuromedin-B receptor
SpeciesHomo sapiens (Human)
GeneNMBR
SynonymBB1 receptor
Epididymis tissue protein Li 185a
BB1
neuromedin-B-preferring bombesin receptor
NMB-R
[ Show all ]
DiseaseN/A
Length390
Amino acid sequenceMPSKSLSNLSVTTGANESGSVPEGWERDFLPASDGTTTELVIRCVIPSLYLLIITVGLLGNIMLVKIFITNSAMRSVPNIFISNLAAGDLLLLLTCVPVDASRYFFDEWMFGKVGCKLIPVIQLTSVGVSVFTLTALSADRYRAIVNPMDMQTSGALLRTCVKAMGIWVVSVLLAVPEAVFSEVARISSLDNSSFTACIPYPQTDELHPKIHSVLIFLVYFLIPLAIISIYYYHIAKTLIKSAHNLPGEYNEHTKKQMETRKRLAKIVLVFVGCFIFCWFPNHILYMYRSFNYNEIDPSLGHMIVTLVARVLSFGNSCVNPFALYLLSESFRRHFNSQLCCGRKSYQERGTSYLLSSSAVRMTSLKSNAKNMVTNSVLLNGHSMKQEMAL
UniProtP28336
Protein Data BankN/A
GPCR-HGmod modelP28336
3D structure modelThis predicted structure model is from GPCR-EXP P28336.
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL3636
IUPHAR38
DrugBankN/A

Ligand

NameCHEMBL92274
Molecular formulaC31H42N4O4
IUPAC nameN-(2,2-dimethyl-1,3-dioxan-5-yl)-2-[[2,6-di(propan-2-yl)phenyl]carbamoylamino]-3-(1H-indol-3-yl)-2-methylpropanamide
Molecular weight534.701
Hydrogen bond acceptor4
Hydrogen bond donor4
XlogP5.1
SynonymsBDBM50288236
2-[3-(2,6-Diisopropyl-phenyl)-ureido]-N-(2,2-dimethyl-[1,3]dioxan-5-yl)-3-(1H-indol-3-yl)-2-methyl-propionamide
Inchi KeyCOZVPGGEDBOYRG-UHFFFAOYSA-N
Inchi IDInChI=1S/C31H42N4O4/c1-19(2)23-12-10-13-24(20(3)4)27(23)34-29(37)35-31(7,15-21-16-32-26-14-9-8-11-25(21)26)28(36)33-22-17-38-30(5,6)39-18-22/h8-14,16,19-20,22,32H,15,17-18H2,1-7H3,(H,33,36)(H2,34,35,37)
PubChem CID44322460
ChEMBLCHEMBL92274
IUPHARN/A
BindingDB50288236
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
Ki630.0 nM, Bioorg. Med. Chem. Lett., (1996) 6:21:2617BindingDB,ChEMBL

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