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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

NameSCHEMBL1252581
Molecular formulaC67H98N18O17S
IUPAC name2-[4-[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]phenyl]methylamino]-2-oxoethyl]-7,10-bis(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
Molecular weight1459.69
Hydrogen bond acceptor23
Hydrogen bond donor16
XlogP-7.4
SynonymsCHEMBL3951758
Inchi KeyKPCUGRDVNGRIAQ-CADXXNFBSA-N
Inchi IDInChI=1S/C67H98N18O17S/c1-39(2)27-50(65(100)77-48(60(69)95)17-26-103-6)79-66(101)52(29-45-32-70-38-74-45)76-54(87)33-73-67(102)59(40(3)4)81-61(96)41(5)75-64(99)51(28-44-31-71-47-10-8-7-9-46(44)47)80-63(98)49(15-16-53(68)86)78-62(97)43-13-11-42(12-14-43)30-72-55(88)34-82-18-20-83(35-56(89)90)22-24-85(37-58(93)94)25-23-84(21-19-82)36-57(91)92/h7-14,31-32,38-41,48-52,59,71H,15-30,33-37H2,1-6H3,(H2,68,86)(H2,69,95)(H,70,74)(H,72,88)(H,73,102)(H,75,99)(H,76,87)(H,77,100)(H,78,97)(H,79,101)(H,80,98)(H,81,96)(H,89,90)(H,91,92)(H,93,94)/t41-,48-,49-,50-,51-,52-,59-/m0/s1
PubChem CID87217835
ChEMBLCHEMBL3951758
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
IC506.8 nMNoneChEMBL

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