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GPCR

NameB1 bradykinin receptor
SpeciesCanis lupus familiaris (Dog)
GeneBDKRB1
SynonymB1R
BK-1 receptor
DiseaseN/A for non-human GPCRs
Length350
Amino acid sequenceMASRAPLELLPLNRSQLSPPNATTCDDAPEAWDLLHRVLPSVIIIICVCGLLGNLLVLAVLLRPRRRLNVAEMYLANLAASDLVFVLGLPFWAANISNQFRWPFGGLLCRLVNGVIKANLFISIFLVVAISRDRYRALVHPMATRRRRQARATCVLIWVAGSLLSVPTFLFRSIEAVPELNNDSACVLLHPPGAWHVARMVELNVLGFLLPLAAIVFFNCHILASLRGRPEVRGARCGGPPDGRTTALILTFVAAFLVCWTPYHFFAFLEFLTQVQVVRGCFWENFKDLGLQYASFFAFINSCLNPVIYVFVGRLFRTRVWDLFKQCAPRRPPAVSWSHRKRVLQLFWQN
UniProtQ9BDQ5
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL4724
IUPHARN/A
DrugBankN/A

Ligand

NameCHEMBL189123
Molecular formulaC27H25Cl2N5O4S
IUPAC name2-[(2R)-1-(3,4-dichlorophenyl)sulfonyl-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]acetamide
Molecular weight586.488
Hydrogen bond acceptor6
Hydrogen bond donor3
XlogP3.1
SynonymsD04WHO
2-[(R)-1-(3,4-Dichloro-benzenesulfonyl)-3-oxo-1,2,3,4-tetrahydro-quinoxalin-2-yl]-N-{2-[4-(4,5-dihydro-1H-imidazol-2-yl)-phenyl]-ethyl}-acetamide
(R)-N-(4-(4,5-dihydro-1H-imidazol-2-yl)phenethyl)-2-(1-(3,4-dichlorophenylsulfonyl)-3-oxo-1,2,3,4-tetrahydroquinoxalin-2-yl)acetamide
GTPL665
4-(3,4-Dichlorophenylsulfonyl)-3,4-dihydro-3beta-[2-[[2-[4-(4,5-dihydro-1H-imidazole-2-yl)phenyl]ethyl]amino]-2-oxoethyl]quinoxaline-2(1H)-one
[ Show all ]
Inchi KeyHYJYRDCPGUEYND-XMMPIXPASA-N
Inchi IDInChI=1S/C27H25Cl2N5O4S/c28-20-10-9-19(15-21(20)29)39(37,38)34-23-4-2-1-3-22(23)33-27(36)24(34)16-25(35)30-12-11-17-5-7-18(8-6-17)26-31-13-14-32-26/h1-10,15,24H,11-14,16H2,(H,30,35)(H,31,32)(H,33,36)/t24-/m1/s1
PubChem CID9916412
ChEMBLCHEMBL189123
IUPHAR665
BindingDB50156455
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Experimental Data

ParameterValueReferenceDatabase source
IC5016.3 nMPMID20369879BindingDB,ChEMBL

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