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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

NameBDBM50295222
Molecular formulaC26H30ClFN2O
IUPAC name5-butyl-6-(2-chloro-6-fluorophenyl)-3,9,9-trimethyl-6,6a,8,10-tetrahydrobenzo[b][1,4]benzodiazepin-7-one
Molecular weight440.987
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP6.3
Synonyms10-butyl-11-(2-chloro-6-fluorophenyl)-3,3,8-trimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Inchi KeyCMSPQXFAMJQFGO-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H30ClFN2O/c1-5-6-12-30-21-13-16(2)10-11-19(21)29-20-14-26(3,4)15-22(31)24(20)25(30)23-17(27)8-7-9-18(23)28/h7-11,13,24-25H,5-6,12,14-15H2,1-4H3
PubChem CID91934293
ChEMBLN/A
IUPHARN/A
BindingDB50295222
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC50150.0 nMPMID19553112BindingDB

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