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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

NameCHEMBL60120
Molecular formulaC22H23N3O5
IUPAC name3-[[(2S)-3-(1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoic acid
Molecular weight409.442
Hydrogen bond acceptor5
Hydrogen bond donor4
XlogP2.2
SynonymsBDBM50289838
SCHEMBL10706467
3-[(S)-2-Benzyloxycarbonylamino-3-(1H-indol-3-yl)-propionylamino]-propionic acid
Inchi KeyGNTYQHBOBNXATQ-IBGZPJMESA-N
Inchi IDInChI=1S/C22H23N3O5/c26-20(27)10-11-23-21(28)19(12-16-13-24-18-9-5-4-8-17(16)18)25-22(29)30-14-15-6-2-1-3-7-15/h1-9,13,19,24H,10-12,14H2,(H,23,28)(H,25,29)(H,26,27)/t19-/m0/s1
PubChem CID44301686
ChEMBLCHEMBL60120
IUPHARN/A
BindingDB50289838
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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