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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

NameCHEMBL58442
Molecular formulaC24H25N5O3
IUPAC namebenzyl N-[(2S)-1-[2-(1H-imidazol-5-yl)ethylamino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate
Molecular weight431.496
Hydrogen bond acceptor4
Hydrogen bond donor4
XlogP3.0
SynonymsBDBM50289811
[1-[2-(1H-Imidazol-4-yl)-ethylcarbamoyl]-2-(1H-indol-3-yl)-ethyl]-carbamic acid benzyl ester
Inchi KeyJTDSRZGLMVOLMU-QFIPXVFZSA-N
Inchi IDInChI=1S/C24H25N5O3/c30-23(26-11-10-19-14-25-16-28-19)22(12-18-13-27-21-9-5-4-8-20(18)21)29-24(31)32-15-17-6-2-1-3-7-17/h1-9,13-14,16,22,27H,10-12,15H2,(H,25,28)(H,26,30)(H,29,31)/t22-/m0/s1
PubChem CID44301620
ChEMBLCHEMBL58442
IUPHARN/A
BindingDB50289811
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Experimental Data

ParameterValueReferenceDatabase source
Ki<10000.0 nM, Bioorg. Med. Chem. Lett., (1997) 7:15:1957BindingDB,ChEMBL

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