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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

NameCHEMBL294570
Molecular formulaC18H25N3O4
IUPAC name2-methylpropyl N-[(2S)-1-(2-hydroxyethylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate
Molecular weight347.415
Hydrogen bond acceptor4
Hydrogen bond donor4
XlogP1.9
SynonymsBDBM50289844
[(S)-1-(2-Hydroxy-ethylcarbamoyl)-2-(1H-indol-3-yl)-ethyl]-carbamic acid isobutyl ester
Inchi KeyGIUQDKGIEHCREO-INIZCTEOSA-N
Inchi IDInChI=1S/C18H25N3O4/c1-12(2)11-25-18(24)21-16(17(23)19-7-8-22)9-13-10-20-15-6-4-3-5-14(13)15/h3-6,10,12,16,20,22H,7-9,11H2,1-2H3,(H,19,23)(H,21,24)/t16-/m0/s1
PubChem CID44301887
ChEMBLCHEMBL294570
IUPHARN/A
BindingDB50289844
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Experimental Data

ParameterValueReferenceDatabase source
Ki<10000.0 nM, Bioorg. Med. Chem. Lett., (1997) 7:15:1957BindingDB,ChEMBL

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