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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

NameCHEMBL319705
Molecular formulaC34H39N5O2
IUPAC name3-[(2,6-dimethylphenyl)carbamoylamino]-N-[(1-pyridin-2-ylcyclohexyl)methyl]-1,2,4,9-tetrahydrocarbazole-3-carboxamide
Molecular weight549.719
Hydrogen bond acceptor3
Hydrogen bond donor4
XlogP6.2
SynonymsBDBM50147027
3-[3-(2,6-Dimethyl-phenyl)-ureido]-2,3,4,9-tetrahydro-1H-carbazole-3-carboxylic acid (1-pyridin-2-yl-cyclohexylmethyl)-amide
Inchi KeyCILYWPVHRFRVQX-UHFFFAOYSA-N
Inchi IDInChI=1S/C34H39N5O2/c1-23-11-10-12-24(2)30(23)38-32(41)39-34(19-16-28-26(21-34)25-13-4-5-14-27(25)37-28)31(40)36-22-33(17-7-3-8-18-33)29-15-6-9-20-35-29/h4-6,9-15,20,37H,3,7-8,16-19,21-22H2,1-2H3,(H,36,40)(H2,38,39,41)
PubChem CID44334156
ChEMBLCHEMBL319705
IUPHARN/A
BindingDB50147027
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
IC505490.0 nMPMID15149640BindingDB,ChEMBL

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