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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

NameCHEMBL61379
Molecular formulaC18H23N3O5
IUPAC name3-[[(2S)-3-(1H-indol-3-yl)-2-(propan-2-yloxycarbonylamino)propanoyl]amino]propanoic acid
Molecular weight361.398
Hydrogen bond acceptor5
Hydrogen bond donor4
XlogP1.5
SynonymsBDBM50289847
3-[(S)-3-(1H-Indol-3-yl)-2-isopropoxycarbonylamino-propionylamino]-propionic acid
Inchi KeyDNSGEZVQKQUAHK-HNNXBMFYSA-N
Inchi IDInChI=1S/C18H23N3O5/c1-11(2)26-18(25)21-15(17(24)19-8-7-16(22)23)9-12-10-20-14-6-4-3-5-13(12)14/h3-6,10-11,15,20H,7-9H2,1-2H3,(H,19,24)(H,21,25)(H,22,23)/t15-/m0/s1
PubChem CID44302175
ChEMBLCHEMBL61379
IUPHARN/A
BindingDB50289847
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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