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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

NameCID 45270715
Molecular formulaC23H24ClFN2O
IUPAC name6-(2-chloro-6-fluorophenyl)-3,5,9,9-tetramethyl-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one
Molecular weight398.906
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP5.5
SynonymsN/A
Inchi KeyFLNFRDBTVBTEQQ-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H24ClFN2O/c1-13-8-9-16-18(10-13)27(4)22(20-14(24)6-5-7-15(20)25)21-17(26-16)11-23(2,3)12-19(21)28/h5-10,22,26H,11-12H2,1-4H3
PubChem CID45270715
ChEMBLCHEMBL563564
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
IC50170.0 nMPMID19553112ChEMBL

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