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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

NameBDBM50295221
Molecular formulaC24H26ClFN2O
IUPAC name6-(2-chloro-6-fluorophenyl)-5-ethyl-3,9,9-trimethyl-6,6a,8,10-tetrahydrobenzo[b][1,4]benzodiazepin-7-one
Molecular weight412.933
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP5.4
Synonyms11-(2-chloro-6-fluorophenyl)-10-ethyl-3,3,8-trimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Inchi KeyIQAPNRIITLPCHN-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H26ClFN2O/c1-5-28-19-11-14(2)9-10-17(19)27-18-12-24(3,4)13-20(29)22(18)23(28)21-15(25)7-6-8-16(21)26/h6-11,22-23H,5,12-13H2,1-4H3
PubChem CID91934292
ChEMBLN/A
IUPHARN/A
BindingDB50295221
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC50180.0 nMPMID19553112BindingDB

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