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GPCR

NameB1 bradykinin receptor
SpeciesHomo sapiens (Human)
GeneBDKRB1
Synonymkinin B1 receptor
bradykinin receptor
BKR1
BK-1 receptor
B1R
[ Show all ]
DiseaseDiabetic macular edema
Rheumatoid arthritis
Pain
Osteoarthritis
Length353
Amino acid sequenceMASSWPPLELQSSNQSQLFPQNATACDNAPEAWDLLHRVLPTFIISICFFGLLGNLFVLLVFLLPRRQLNVAEIYLANLAASDLVFVLGLPFWAENIWNQFNWPFGALLCRVINGVIKANLFISIFLVVAISQDRYRVLVHPMASRRQQRRRQARVTCVLIWVVGGLLSIPTFLLRSIQAVPDLNITACILLLPHEAWHFARIVELNILGFLLPLAAIVFFNYHILASLRTREEVSRTRCGGRKDSKTTALILTLVVAFLVCWAPYHFFAFLEFLFQVQAVRGCFWEDFIDLGLQLANFFAFTNSSLNPVIYVFVGRLFRTKVWELYKQCTPKSLAPISSSHRKEIFQLFWRN
UniProtP46663
Protein Data BankN/A
GPCR-HGmod modelP46663
3D structure modelThis predicted structure model is from GPCR-EXP P46663.
BioLiPN/A
Therapeutic Target DatabaseT58589
ChEMBLCHEMBL4308
IUPHAR41
DrugBankBE0005831

Ligand

NameSCHEMBL10147835
Molecular formulaC26H22ClF2N7O5
IUPAC nameN-[3-[[(1R)-1-[5-[5-chloro-3-fluoro-2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-3-fluoropyridin-2-yl]ethyl]carbamoyl]oxetan-3-yl]-2-methoxypyrimidine-5-carboxamide
Molecular weight585.953
Hydrogen bond acceptor12
Hydrogen bond donor2
XlogP2.2
SynonymsUS8912221, 15
BDBM140542
Inchi KeyCAOFUTXBTGKTNT-GFCCVEGCSA-N
Inchi IDInChI=1S/C26H22ClF2N7O5/c1-12(33-24(38)26(10-40-11-26)35-23(37)15-8-31-25(39-3)32-9-15)21-19(29)4-14(7-30-21)17-5-16(27)6-18(28)20(17)22-34-13(2)41-36-22/h4-9,12H,10-11H2,1-3H3,(H,33,38)(H,35,37)/t12-/m1/s1
PubChem CID57382839
ChEMBLN/A
IUPHARN/A
BindingDB140542
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 10 hydrogen bond acceptor.
This ligand is heavier than 500 daltons.

Experimental Data

ParameterValueReferenceDatabase source
Ki1.1 nMN/ABindingDB

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