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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

NameCHEMBL102915
Molecular formulaC36H41ClN4O2
IUPAC nameN-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-[[2,6-di(propan-2-yl)phenyl]carbamoylamino]-1,2,4,9-tetrahydrocarbazole-3-carboxamide
Molecular weight597.2
Hydrogen bond acceptor2
Hydrogen bond donor4
XlogP7.8
SynonymsBDBM50147025
3-[3-(2,6-Diisopropyl-phenyl)-ureido]-2,3,4,9-tetrahydro-1H-carbazole-3-carboxylic acid [1-(4-chloro-phenyl)-cyclopropylmethyl]-amide
Inchi KeyJLMMTJIRJIJPSW-UHFFFAOYSA-N
Inchi IDInChI=1S/C36H41ClN4O2/c1-22(2)26-9-7-10-27(23(3)4)32(26)40-34(43)41-36(17-16-31-29(20-36)28-8-5-6-11-30(28)39-31)33(42)38-21-35(18-19-35)24-12-14-25(37)15-13-24/h5-15,22-23,39H,16-21H2,1-4H3,(H,38,42)(H2,40,41,43)
PubChem CID44333725
ChEMBLCHEMBL102915
IUPHARN/A
BindingDB50147025
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
IC50<10000.0 nMPMID15149640BindingDB,ChEMBL

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