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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

NameCHEMBL102647
Molecular formulaC38H46BrN5O2
IUPAC name7-bromo-3-[[2,6-di(propan-2-yl)phenyl]carbamoylamino]-N-[(1-pyridin-2-ylcyclohexyl)methyl]-1,2,4,9-tetrahydrocarbazole-3-carboxamide
Molecular weight684.723
Hydrogen bond acceptor3
Hydrogen bond donor4
XlogP8.4
Synonyms7-Bromo-3-[3-(2,6-diisopropyl-phenyl)-ureido]-2,3,4,9-tetrahydro-1H-carbazole-3-carboxylic acid (1-pyridin-2-yl-cyclohexylmethyl)-amide
BDBM50147028
Inchi KeyDJNZEMMTTDEZOB-UHFFFAOYSA-N
Inchi IDInChI=1S/C38H46BrN5O2/c1-24(2)27-11-10-12-28(25(3)4)34(27)43-36(46)44-38(19-16-31-30(22-38)29-15-14-26(39)21-32(29)42-31)35(45)41-23-37(17-7-5-8-18-37)33-13-6-9-20-40-33/h6,9-15,20-21,24-25,42H,5,7-8,16-19,22-23H2,1-4H3,(H,41,45)(H2,43,44,46)
PubChem CID44333806
ChEMBLCHEMBL102647
IUPHARN/A
BindingDB50147028
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
IC502140.0 nMPMID15149640BindingDB,ChEMBL

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