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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

NameCHEMBL3952732
Molecular formulaC69H100N18O18S
IUPAC name2-[4-[2-[[3-[4-[[[(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]methyl]phenyl]-2,3-dioxopropyl]amino]-2-oxoethyl]-7,10-bis(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
Molecular weight1501.73
Hydrogen bond acceptor25
Hydrogen bond donor16
XlogP-7.7
SynonymsN/A
Inchi KeyIFWINQSJXWIZTR-RHYSEJEISA-N
Inchi IDInChI=1S/C69H100N18O18S/c1-40(2)27-51(67(103)80-49(63(71)99)17-26-106-6)81-68(104)53(29-46-32-72-39-77-46)79-56(90)34-76-69(105)61(41(3)4)83-64(100)42(5)78-66(102)52(28-45-31-74-48-10-8-7-9-47(45)48)82-65(101)50(15-16-55(70)89)73-30-43-11-13-44(14-12-43)62(98)54(88)33-75-57(91)35-84-18-20-85(36-58(92)93)22-24-87(38-60(96)97)25-23-86(21-19-84)37-59(94)95/h7-14,31-32,39-42,49-53,61,73-74H,15-30,33-38H2,1-6H3,(H2,70,89)(H2,71,99)(H,72,77)(H,75,91)(H,76,105)(H,78,102)(H,79,90)(H,80,103)(H,81,104)(H,82,101)(H,83,100)(H,92,93)(H,94,95)(H,96,97)/t42-,49-,50-,51-,52-,53-,61-/m0/s1
PubChem CID134145000
ChEMBLCHEMBL3952732
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
IC500.2 nMNoneChEMBL

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