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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

NameCHEMBL58851
Molecular formulaC20H30N4O3
IUPAC namepropan-2-yl N-[(2S)-1-(5-aminopentylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate
Molecular weight374.485
Hydrogen bond acceptor4
Hydrogen bond donor4
XlogP2.2
SynonymsBDBM50289821
[(S)-1-(5-Amino-pentylcarbamoyl)-2-(1H-indol-3-yl)-ethyl]-carbamic acid isopropyl ester
Inchi KeyBBZPDNDUWIDPAR-SFHVURJKSA-N
Inchi IDInChI=1S/C20H30N4O3/c1-14(2)27-20(26)24-18(19(25)22-11-7-3-6-10-21)12-15-13-23-17-9-5-4-8-16(15)17/h4-5,8-9,13-14,18,23H,3,6-7,10-12,21H2,1-2H3,(H,22,25)(H,24,26)/t18-/m0/s1
PubChem CID44301927
ChEMBLCHEMBL58851
IUPHARN/A
BindingDB50289821
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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