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GPCR

NameB1 bradykinin receptor
SpeciesMus musculus (Mouse)
GeneBdkrb1
Synonymbradykinin receptor
BKR1
BK-1 receptor
B1R
B1BKR
[ Show all ]
DiseaseN/A for non-human GPCRs
Length334
Amino acid sequenceMASQASLKLQPSNQSQQAPPNITSCEGAPEAWDLLCRVLPGFVITVCFFGLLGNLLVLSFFLLPWRRWWQQRRQRLTIAEIYLANLAASDLVFVLGLPFWAENVGNRFNWPFGSDLCRVVSGVIKANLFISIFLVVAISQDRYRLLVYPMTSWGNRRRRQAQVTCLLIWVAGGLLSTPTFLLRSVKVVPDLNISACILLFPHEAWHFVRMVELNVLGFLLPLAAILYFNFHILASLRGQKEASRTRCGGPKDSKTMGLILTLVASFLVCWAPYHFFAFLDFLVQVRVIQDCFWKELTDLGLQLANFFAFVNSCLNPLIYVFAGRLFKTRVLGTL
UniProtQ61125
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL1250407
IUPHAR41
DrugBankN/A

Ligand

Name8-Leu-9-des-arg-BK
Molecular formulaC41H63N11O10
IUPAC name(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[2-[[(2S)-1-[(2S)-1-[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-3-hydroxypropanoyl]pyrrolidine-2-carbonyl]amino]-4-methylpentanoic acid
Molecular weight870.022
Hydrogen bond acceptor12
Hydrogen bond donor9
XlogP-3.6
Synonyms8-Leu-9-de-arg-bradykinin
Bradykinin, leu(8) (1-8)
bradykinin, Leu(8)-des-Arg(9)-
Bradykinin, leucyl(8)-des-arginine(9)-
[Leu8,des-Arg9]bradykinin
[ Show all ]
Inchi KeyBGAPYBBQGHUQNM-YYGRSCHNSA-N
Inchi IDInChI=1S/C41H63N11O10/c1-24(2)20-28(40(61)62)48-36(57)31-14-8-17-50(31)38(59)29(23-53)49-34(55)27(21-25-10-4-3-5-11-25)47-33(54)22-46-35(56)30-13-7-18-51(30)39(60)32-15-9-19-52(32)37(58)26(42)12-6-16-45-41(43)44/h3-5,10-11,24,26-32,53H,6-9,12-23,42H2,1-2H3,(H,46,56)(H,47,54)(H,48,57)(H,49,55)(H,61,62)(H4,43,44,45)/t26-,27-,28-,29-,30-,31-,32-/m0/s1
PubChem CID123884
ChEMBLCHEMBL80472
IUPHAR641
BindingDB50089306
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
EC5050.1187 nMPMID9276157IUPHAR
Ki3.98107 nMPMID8856107IUPHAR

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