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GPCR

NameType-1 angiotensin II receptor
SpeciesBos taurus (Bovine)
GeneAGTR1
SynonymAngiotensin II type-1 receptor
AT1
DiseaseN/A for non-human GPCRs
Length359
Amino acid sequenceMILNSSTEDGIKRIQDDCPKAGRHNYIFIMIPTLYSIIFVVGIFGNSLVVIVIYFYMKLKTVASVFLLNLALADLCFLLTLPLWAVYTAMEYRWPFGNYLCKIASASVSFNLYASVFLLTCLSIDRYLAIVHPMKSRLRRTMLVAKVTCIIIWLLAGLASLPTIIHRNVFFIENTNITVCAFHYESQNSTLPVGLGLTKNILGFLFPFLIILTSYTLIWKTLKKAYEIQKNKPRKDDIFKIILAIVLFFFFSWVPHQIFTFMDVLIQLGLIRDCKIEDIVDTAMPITICLAYFNNCLNPLFYGFLGKKFKKYFLQLLKYIPPKAKSHSNLSTKMSTLSYRPSENGNSSTKKPAPCIEVE
UniProtP25104
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL3374
IUPHARN/A
DrugBankN/A

Ligand

NameCHEMBL428475
Molecular formulaC48H69N13O10
IUPAC name(2R)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-(diaminomethylideneamino)-2-[[2-(methylamino)acetyl]amino]pentanoyl]amino]-3-methylbutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylbutanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoic acid
Molecular weight988.161
Hydrogen bond acceptor13
Hydrogen bond donor12
XlogP-1.0
SynonymsBDBM50422230
Inchi KeyGSWMBMLSANAKLE-BAYAHZKWSA-N
Inchi IDInChI=1S/C48H69N13O10/c1-27(2)39(59-41(64)33(55-38(63)25-51-5)13-9-19-53-48(49)50)44(67)56-34(21-30-15-17-32(62)18-16-30)42(65)60-40(28(3)4)45(68)57-35(23-31-24-52-26-54-31)46(69)61-20-10-14-37(61)43(66)58-36(47(70)71)22-29-11-7-6-8-12-29/h6-8,11-12,15-18,24,26-28,33-37,39-40,51,62H,9-10,13-14,19-23,25H2,1-5H3,(H,52,54)(H,55,63)(H,56,67)(H,57,68)(H,58,66)(H,59,64)(H,60,65)(H,70,71)(H4,49,50,53)/t33-,34-,35-,36+,37-,39-,40-/m0/s1
PubChem CID44340063
ChEMBLCHEMBL428475
IUPHARN/A
BindingDB50422230
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
Kd1.4 nMPMID9379447BindingDB
Kd1.413 nMPMID9379447ChEMBL
RA407.38 -PMID9379447ChEMBL

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