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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

Name[des-Arg9]BK
Molecular formulaC44H61N11O10
IUPAC name2-[[1-[2-[[2-[[2-[[1-[1-[2-amino-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-3-hydroxypropanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoic acid
Molecular weight904.039
Hydrogen bond acceptor12
Hydrogen bond donor9
XlogP-3.3
SynonymsBDBM82076
J-009618
Bradykinin Fragment 1-8 acetate salt hydrate
AC1NNWPY
D09IEO
[ Show all ]
Inchi KeyVCEHWDBVPZFHAG-UHFFFAOYSA-N
Inchi IDInChI=1S/C44H61N11O10/c45-29(15-7-19-48-44(46)47)40(61)55-22-10-18-35(55)42(63)54-21-8-16-33(54)38(59)49-25-36(57)50-30(23-27-11-3-1-4-12-27)37(58)52-32(26-56)41(62)53-20-9-17-34(53)39(60)51-31(43(64)65)24-28-13-5-2-6-14-28/h1-6,11-14,29-35,56H,7-10,15-26,45H2,(H,49,59)(H,50,57)(H,51,60)(H,52,58)(H,64,65)(H4,46,47,48)
PubChem CID5128451
ChEMBLN/A
IUPHAR646
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
Ki0.630957 nMPMID8856107IUPHAR

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