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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

NameCHEMBL101749
Molecular formulaC28H35N5O2
IUPAC name3-(ethylcarbamoylamino)-N-[(1-pyridin-2-ylcyclohexyl)methyl]-1,2,4,9-tetrahydrocarbazole-3-carboxamide
Molecular weight473.621
Hydrogen bond acceptor3
Hydrogen bond donor4
XlogP4.3
SynonymsBDBM50147032
3-(3-Ethyl-ureido)-2,3,4,9-tetrahydro-1H-carbazole-3-carboxylic acid (1-pyridin-2-yl-cyclohexylmethyl)-amide
Inchi KeyDQEPMDWNMZRPMH-UHFFFAOYSA-N
Inchi IDInChI=1S/C28H35N5O2/c1-2-29-26(35)33-28(16-13-23-21(18-28)20-10-4-5-11-22(20)32-23)25(34)31-19-27(14-7-3-8-15-27)24-12-6-9-17-30-24/h4-6,9-12,17,32H,2-3,7-8,13-16,18-19H2,1H3,(H,31,34)(H2,29,33,35)
PubChem CID44333693
ChEMBLCHEMBL101749
IUPHARN/A
BindingDB50147032
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Experimental Data

ParameterValueReferenceDatabase source
IC50<10000.0 nMPMID15149640BindingDB,ChEMBL

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