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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

NameSCHEMBL1251302
Molecular formulaC68H100N18O18S
IUPAC name2-[4-[2-[2-[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]carbamoyl]phenoxy]ethylamino]-2-oxoethyl]-7,10-bis(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
Molecular weight1489.72
Hydrogen bond acceptor24
Hydrogen bond donor16
XlogP-7.2
SynonymsCHEMBL3900523
Inchi KeyAQLOVZAHQIIXTC-SEUBIJBUSA-N
Inchi IDInChI=1S/C68H100N18O18S/c1-40(2)29-51(66(101)78-49(61(70)96)17-28-105-6)80-67(102)53(31-45-33-71-39-75-45)77-55(88)34-74-68(103)60(41(3)4)82-62(97)42(5)76-65(100)52(30-44-32-73-48-10-8-7-9-47(44)48)81-64(99)50(15-16-54(69)87)79-63(98)43-11-13-46(14-12-43)104-27-18-72-56(89)35-83-19-21-84(36-57(90)91)23-25-86(38-59(94)95)26-24-85(22-20-83)37-58(92)93/h7-14,32-33,39-42,49-53,60,73H,15-31,34-38H2,1-6H3,(H2,69,87)(H2,70,96)(H,71,75)(H,72,89)(H,74,103)(H,76,100)(H,77,88)(H,78,101)(H,79,98)(H,80,102)(H,81,99)(H,82,97)(H,90,91)(H,92,93)(H,94,95)/t42-,49-,50-,51-,52-,53-,60-/m0/s1
PubChem CID87217644
ChEMBLCHEMBL3900523
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
IC501.8 nMNoneChEMBL

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