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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

NameCHEMBL58605
Molecular formulaC19H25N3O5
IUPAC name2-[[(2S)-3-(1H-indol-3-yl)-1-(3-methylbutylamino)-1-oxopropan-2-yl]carbamoyloxy]acetic acid
Molecular weight375.425
Hydrogen bond acceptor5
Hydrogen bond donor4
XlogP2.5
SynonymsBDBM50289818
[(S)-2-(1H-Indol-3-yl)-1-(3-methyl-butylcarbamoyl)-ethylcarbamoyloxy]-acetic acid
Inchi KeyIIRJFVOPVAWNSL-INIZCTEOSA-N
Inchi IDInChI=1S/C19H25N3O5/c1-12(2)7-8-20-18(25)16(22-19(26)27-11-17(23)24)9-13-10-21-15-6-4-3-5-14(13)15/h3-6,10,12,16,21H,7-9,11H2,1-2H3,(H,20,25)(H,22,26)(H,23,24)/t16-/m0/s1
PubChem CID44301763
ChEMBLCHEMBL58605
IUPHARN/A
BindingDB50289818
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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