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GPCR

NameB1 bradykinin receptor
SpeciesRattus norvegicus (Rat)
GeneBdkrb1
SynonymKB1
bradykinin receptor
BKR1
BK-1 receptor
B1R
[ Show all ]
DiseaseN/A for non-human GPCRs
Length337
Amino acid sequenceMASEVLLELQPSNRSLQAPANITSCESALEDWDLLYRVLPGFVITICFFGLLGNLLVLSFFLLPWRQWWWQQRQRQQRLTIAEIYLANLAASDLVFVLGLPFWAENIGNRFNWPFGTDLCRVVSGVIKANLFVSIFLVVAISQDRYRLLVYPMTSWGYRRRRQAQATCLLIWVAGGLLSIPTFLLRSVKVVPDLNVSACILLFPHEAWHFARMVELNVLGFLLPVTAIIFFNYHILASLRGQKEASRTRCGGPKGSKTTGLILTLVASFLVCWCPYHFFAFLDFLVQVRVIQDCSWKEITDLGLQLANFFAFVNSCLNPLIYVFAGRLLKTRVLGTL
UniProtP97583
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL4613
IUPHAR41
DrugBankN/A

Ligand

NameCHEMBL313869
Molecular formulaC41H66N12O10
IUPAC name(2S)-2-[[(2S)-1-[(2S)-2-[[2-[[1-[[2-[[(2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]acetyl]amino]cycloheptanecarbonyl]amino]acetyl]amino]-3-hydroxypropanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoic acid
Molecular weight887.053
Hydrogen bond acceptor13
Hydrogen bond donor12
XlogP-4.4
SynonymsN/A
Inchi KeySZKSRADLWODSGY-QKUYTOGTSA-N
Inchi IDInChI=1S/C41H66N12O10/c42-19-9-6-14-27(43)34(57)50-28(15-10-20-46-40(44)45)35(58)47-24-33(56)52-41(17-7-1-2-8-18-41)39(63)48-23-32(55)49-30(25-54)37(60)53-21-11-16-31(53)36(59)51-29(38(61)62)22-26-12-4-3-5-13-26/h3-5,12-13,27-31,54H,1-2,6-11,14-25,42-43H2,(H,47,58)(H,48,63)(H,49,55)(H,50,57)(H,51,59)(H,52,56)(H,61,62)(H4,44,45,46)/t27-,28-,29-,30-,31-/m0/s1
PubChem CID10629523
ChEMBLCHEMBL313869
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
pD25.4 -PMID11170638ChEMBL

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