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GPCR

NameNeuromedin-B receptor
SpeciesRattus norvegicus (Rat)
GeneNmbr
SynonymBB1
BB1 receptor
neuromedin B receptor
neuromedin-B-preferring bombesin receptor
NMB-R
DiseaseN/A for non-human GPCRs
Length390
Amino acid sequenceMPPRSLPNLSLPTEASESELEPEVWENDFLPDSDGTTAELVIRCVIPSLYLIIISVGLLGNIMLVKIFLTNSTMRSVPNIFISNLAAGDLLLLLTCVPVDASRYFFDEWVFGKLGCKLIPAIQLTSVGVSVFTLTALSADRYRAIVNPMDMQTSGVVLWTSLKAVGIWVVSVLLAVPEAVFSEVARIGSSDNSSFTACIPYPQTDELHPKIHSVLIFLVYFLIPLVIISIYYYHIAKTLIRSAHNLPGEYNEHTKKQMETRKRLAKIVLVFVGCFVFCWFPNHILYLYRSFNYKEIDPSLGHMIVTLVARVLSFSNSCVNPFALYLLSESFRKHFNSQLCCGQKSYPERSTSYLLSSSAVRMTSLKSNAKNVVTNSVLLNGHSTKQEIAL
UniProtP24053
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL4440
IUPHAR38
DrugBankN/A

Ligand

NameCHEMBL217438
Molecular formulaC63H73N11O9S2
IUPAC name(4R,7S,10R,13S,16R,19S)-10-(4-aminobutyl)-N-[(2S)-1-amino-3-naphthalen-2-yl-1-oxopropan-2-yl]-19-[[(2R)-2-amino-3-naphthalen-2-ylpropanoyl]amino]-16-[(4-hydroxyphenyl)methyl]-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-7-propan-2-yl-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carboxamide
Molecular weight1192.46
Hydrogen bond acceptor13
Hydrogen bond donor12
XlogP5.9
SynonymsBDBM50063814
H-DNal-cyclo[DCys-Tyr-DTrp-Lys-Val-Cys]-DNal-NH2
H-DNal-cyclo[DCys-Tyr-DTrp-Lys-Val-Cys]-Nal-NH2
H-DNal-cyclo[Cys-Tyr-DTrp-Lys-Val-DCys]-Nal-NH2
H-Nal-cyclo[DCys-Tyr-DTrp-Lys-Val-Cys]-Nal-NH2
Inchi KeyWASLGBPOQJKRMS-IBIOXKAYSA-N
Inchi IDInChI=1S/C63H73N11O9S2/c1-36(2)55-63(83)73-54(61(81)69-50(56(66)76)31-39-19-23-41-12-4-6-14-43(41)28-39)35-85-84-34-53(72-57(77)47(65)29-38-18-22-40-11-3-5-13-42(40)27-38)62(82)70-51(30-37-20-24-45(75)25-21-37)59(79)71-52(32-44-33-67-48-16-8-7-15-46(44)48)60(80)68-49(58(78)74-55)17-9-10-26-64/h3-8,11-16,18-25,27-28,33,36,47,49-55,67,75H,9-10,17,26,29-32,34-35,64-65H2,1-2H3,(H2,66,76)(H,68,80)(H,69,81)(H,70,82)(H,71,79)(H,72,77)(H,73,83)(H,74,78)/t47-,49-,50+,51-,52+,53-,54+,55+/m1/s1
PubChem CID44270222
ChEMBLN/A
IUPHARN/A
BindingDB50063814
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This ligand has more than 10 hydrogen bond acceptor.
This ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
Ki220.0 nMPMID10353842BindingDB

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