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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

NameCHEMBL58864
Molecular formulaC19H27N3O3
IUPAC namepropan-2-yl N-[(2S)-3-(1H-indol-3-yl)-1-(2-methylpropylamino)-1-oxopropan-2-yl]carbamate
Molecular weight345.443
Hydrogen bond acceptor3
Hydrogen bond donor3
XlogP3.4
SynonymsBDBM50289848
[(S)-2-(1H-Indol-3-yl)-1-isobutylcarbamoyl-ethyl]-carbamic acid isopropyl ester
Inchi KeyKFPXFCFRUWVYCS-KRWDZBQOSA-N
Inchi IDInChI=1S/C19H27N3O3/c1-12(2)10-21-18(23)17(22-19(24)25-13(3)4)9-14-11-20-16-8-6-5-7-15(14)16/h5-8,11-13,17,20H,9-10H2,1-4H3,(H,21,23)(H,22,24)/t17-/m0/s1
PubChem CID44301563
ChEMBLCHEMBL58864
IUPHARN/A
BindingDB50289848
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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