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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

NameCHEMBL318524
Molecular formulaC40H64N12O10
IUPAC name(2S)-2-[[(2S)-1-[(2S)-2-[[2-[[1-[[2-[[(2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]acetyl]amino]cyclohexanecarbonyl]amino]acetyl]amino]-3-hydroxypropanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoic acid
Molecular weight873.026
Hydrogen bond acceptor13
Hydrogen bond donor12
XlogP-5.0
SynonymsN/A
Inchi KeyDJKGJEBSFTYWEA-IIZANFQQSA-N
Inchi IDInChI=1S/C40H64N12O10/c41-18-8-5-13-26(42)33(56)49-27(14-9-19-45-39(43)44)34(57)46-23-32(55)51-40(16-6-2-7-17-40)38(62)47-22-31(54)48-29(24-53)36(59)52-20-10-15-30(52)35(58)50-28(37(60)61)21-25-11-3-1-4-12-25/h1,3-4,11-12,26-30,53H,2,5-10,13-24,41-42H2,(H,46,57)(H,47,62)(H,48,54)(H,49,56)(H,50,58)(H,51,55)(H,60,61)(H4,43,44,45)/t26-,27-,28-,29-,30-/m0/s1
PubChem CID10843315
ChEMBLCHEMBL318524
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
pD25.1 -PMID11170638ChEMBL

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