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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

NameCHEMBL3954412
Molecular formulaC88H115N19O19S
IUPAC name2-[4-[2-[[(2S)-1-[[1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-3-(4-benzoylphenyl)-1-oxopropan-2-yl]amino]-3-naphthalen-1-yl-1-oxopropan-2-yl]amino]-2-oxoethyl]-7,10-bis(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
Molecular weight1775.06
Hydrogen bond acceptor25
Hydrogen bond donor17
XlogP-2.9
SynonymsN/A
Inchi KeyFRGICVVWXYUDAM-OZYLGUQHSA-N
Inchi IDInChI=1S/C88H115N19O19S/c1-52(2)39-67(84(122)98-65(80(90)118)29-38-127-6)100-87(125)71(43-61-45-91-51-94-61)96-73(109)46-93-88(126)78(53(3)4)103-81(119)54(5)95-83(121)70(42-60-44-92-64-22-13-12-21-63(60)64)102-82(120)66(27-28-72(89)108)99-85(123)68(40-55-23-25-58(26-24-55)79(117)57-16-8-7-9-17-57)101-86(124)69(41-59-19-14-18-56-15-10-11-20-62(56)59)97-74(110)47-104-30-32-105(48-75(111)112)34-36-107(50-77(115)116)37-35-106(33-31-104)49-76(113)114/h7-26,44-45,51-54,65-71,78,92H,27-43,46-50H2,1-6H3,(H2,89,108)(H2,90,118)(H,91,94)(H,93,126)(H,95,121)(H,96,109)(H,97,110)(H,98,122)(H,99,123)(H,100,125)(H,101,124)(H,102,120)(H,103,119)(H,111,112)(H,113,114)(H,115,116)/t54-,65-,66-,67-,68?,69-,70-,71-,78-/m0/s1
PubChem CID134144355
ChEMBLCHEMBL3954412
IUPHARN/A
BindingDBN/A
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.

Experimental Data

ParameterValueReferenceDatabase source
IC5089.9 nMNoneChEMBL

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