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GPCR

NameB2 bradykinin receptor
SpeciesCavia porcellus (Guinea pig)
GeneBDKRB2
SynonymB2R
BK-2 receptor
DiseaseN/A for non-human GPCRs
Length372
Amino acid sequenceMFNITSQVSALNATLAQGNSCLDAEWWSWLNTIQAPFLWVLFVLAVLENIFVLSVFFLHKSSCTVAEIYLGNLAVADLILAFGLPFWAITIANNFDWLFGEVLCRMVNTMIQMNMYSSICFLMLVSIDRYLALVKTMSMGRMRGVRWAKLYSLVIWGCALLLSSPMLVFRTMKDYRDEGHNVTACLIIYPSLTWQVFTNVLLNLVGFLLPLSIITFCTVQIMQVLRNNEMQKFKEIQTERRATVLVLAVLLLFVVCWLPFQIGTFLDTLRLLGFLPGCWEHVIDLITQISSYLAYSNSCLNPLVYVIVGKRFRKKSREVYHGLCRSGGCVSEPAQSENSMGTLRTSISVDRQIHKLQDWARSSSEGTPPGLL
UniProtO70526
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL4111
IUPHARN/A
DrugBankN/A

Ligand

NameCHEMBL542836
Molecular formulaC31H31Cl2N5O4
IUPAC name4-[(E)-3-[[2-[2,4-dichloro-3-[(2-ethyl-1-methylbenzimidazol-4-yl)oxymethyl]-N-methylanilino]-2-oxoethyl]amino]-3-oxoprop-1-enyl]-N-methylbenzamide
Molecular weight608.52
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP5.1
Synonyms4-{(E)-2-[({[2,4-Dichloro-3-(2-ethyl-1-methyl-1H-benzoimidazol-4-yloxymethyl)-phenyl]-methyl-carbamoyl}-methyl)-carbamoyl]-vinyl}-N-methyl-benzamide; hydrochloride
BDBM50067269
CHEMBL1191700
SCHEMBL8051877
Inchi KeyBYDUPTWIWRIDTN-LFIBNONCSA-N
Inchi IDInChI=1S/C31H31Cl2N5O4/c1-5-26-36-30-24(37(26)3)7-6-8-25(30)42-18-21-22(32)14-15-23(29(21)33)38(4)28(40)17-35-27(39)16-11-19-9-12-20(13-10-19)31(41)34-2/h6-16H,5,17-18H2,1-4H3,(H,34,41)(H,35,39)/b16-11+
PubChem CID10841393
ChEMBLN/A
IUPHARN/A
BindingDB50067269
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
IC508.7 nMPMID9767643BindingDB

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