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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

NameCHEMBL89813
Molecular formulaC31H34N6O4
IUPAC name(2S)-3-(1H-indol-3-yl)-2-methyl-2-[(2-nitrophenyl)carbamoylamino]-N-[(1-pyridin-2-ylcyclohexyl)methyl]propanamide
Molecular weight554.651
Hydrogen bond acceptor5
Hydrogen bond donor4
XlogP5.8
SynonymsBDBM50071732
(S)-3-(1H-Indol-3-yl)-2-methyl-2-[3-(2-nitro-phenyl)-ureido]-N-(1-pyridin-2-yl-cyclohexylmethyl)-propionamide
Inchi KeyJCTVJEOJKGTAMS-PMERELPUSA-N
Inchi IDInChI=1S/C31H34N6O4/c1-30(19-22-20-33-24-12-4-3-11-23(22)24,36-29(39)35-25-13-5-6-14-26(25)37(40)41)28(38)34-21-31(16-8-2-9-17-31)27-15-7-10-18-32-27/h3-7,10-15,18,20,33H,2,8-9,16-17,19,21H2,1H3,(H,34,38)(H2,35,36,39)/t30-/m0/s1
PubChem CID44321035
ChEMBLCHEMBL89813
IUPHARN/A
BindingDB50071732
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
Ki184.0 nMPMID9873586BindingDB,ChEMBL

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