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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

NameCHEMBL325742
Molecular formulaC26H23Cl2N3O4S
IUPAC namebenzyl N-[2-[2,4-dichloro-N-methyl-3-[(2-methyl-1,3-benzothiazol-4-yl)oxymethyl]anilino]-2-oxoethyl]carbamate
Molecular weight544.447
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP6.1
SynonymsSCHEMBL8632906
BDBM50074996
({[2,4-Dichloro-3-(2-methyl-benzothiazol-4-yloxymethyl)-phenyl]-methyl-carbamoyl}-methyl)-carbamic acid benzyl ester
Inchi KeyBVOSSPZCIPMSJY-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H23Cl2N3O4S/c1-16-30-25-21(9-6-10-22(25)36-16)34-15-18-19(27)11-12-20(24(18)28)31(2)23(32)13-29-26(33)35-14-17-7-4-3-5-8-17/h3-12H,13-15H2,1-2H3,(H,29,33)
PubChem CID15388870
ChEMBLCHEMBL325742
IUPHARN/A
BindingDB50074996
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
IC5077.8 nMPMID10091678ChEMBL
IC5078.0 nMPMID10091678BindingDB
Ki9.1 nMPMID10091678BindingDB,ChEMBL

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