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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

NameCHEMBL88174
Molecular formulaC32H44N4O2
IUPAC nameN-(cyclohexylmethyl)-2-[[[2,6-di(propan-2-yl)phenyl]-methylcarbamoyl]amino]-3-(1H-indol-3-yl)propanamide
Molecular weight516.73
Hydrogen bond acceptor2
Hydrogen bond donor3
XlogP7.2
SynonymsSCHEMBL6809992
BDBM50288237
N-Cyclohexylmethyl-2-[3-(2,6-diisopropyl-phenyl)-3-methyl-ureido]-3-(1H-indol-3-yl)-propionamide
Inchi KeyAGWZSYKZXCUDPY-UHFFFAOYSA-N
Inchi IDInChI=1S/C32H44N4O2/c1-21(2)25-15-11-16-26(22(3)4)30(25)36(5)32(38)35-29(31(37)34-19-23-12-7-6-8-13-23)18-24-20-33-28-17-10-9-14-27(24)28/h9-11,14-17,20-23,29,33H,6-8,12-13,18-19H2,1-5H3,(H,34,37)(H,35,38)
PubChem CID44322247
ChEMBLCHEMBL88174
IUPHARN/A
BindingDB50288237
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
Ki260.0 nM, Bioorg. Med. Chem. Lett., (1996) 6:21:2617BindingDB,ChEMBL

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