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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

NameBDBM50295239
Molecular formulaC22H19ClF4N2O2
IUPAC name6-(2-chloro-6-fluorophenyl)-9,9-dimethyl-3-(trifluoromethoxy)-6,6a,8,10-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one
Molecular weight454.85
Hydrogen bond acceptor8
Hydrogen bond donor1
XlogP5.7
Synonyms11-(2-chloro-6-fluorophenyl)-3,3-dimethyl-8-(trifluoromethoxy)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Inchi KeyAMQJZZHOCHGQCX-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H19ClF4N2O2/c1-21(2)9-16-19(17(30)10-21)20(18-12(23)4-3-5-13(18)24)29-15-8-11(31-22(25,26)27)6-7-14(15)28-16/h3-8,19-20,29H,9-10H2,1-2H3
PubChem CID91934310
ChEMBLN/A
IUPHARN/A
BindingDB50295239
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC501300.0 nMPMID19553112BindingDB

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