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GPCR

NameType-1 angiotensin II receptor
SpeciesOryctolagus cuniculus (Rabbit)
GeneAGTR1
SynonymAngiotensin II type-1 receptor
AT1
DiseaseN/A for non-human GPCRs
Length359
Amino acid sequenceMMLNSSTEDGIKRIQDDCPKAGRHNYIFVMIPTLYSIIFVVGIFGNSLAVIVIYFYMKLKTVASVFLLNLALADLCFLLTLPLWAVYTAMEYRWPFGNYLCKIASASVSFNLYASVFLLTCLSIDRYLAIVHPMKSRLRRTMLVAKVTCIIIWLLAGLASLPAIIHRNVFFIENTNITVCAFHYESQNSTLPIGLGLTKNILGFLFPFLIILTSYTLIWKALKKAYEIQKNKPRNDDIFKIIMAIVLFFFFSWVPHQIFTFLDVLIQLGVIHDCRIADIVDTAMPITICIAYFNNCLNPLFYGFLGKKFKKYFLQLLKYIPPKAKSHSNLSTKMSTLSYRPSDNVSSSSKKPVPCFEVE
UniProtP34976
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL3948
IUPHARN/A
DrugBankN/A

Ligand

NameCHEMBL3275931
Molecular formulaC66H81N13O14
IUPAC name(3S)-4-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-[(2S)-2-[[(1S)-1-carboxy-2-phenylethyl]carbamoyl]pyrrolidin-1-yl]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-3-(2-hydroxy-3-oxo-2,4-diphenylpyrrol-1-yl)-4-oxobutanoic acid
Molecular weight1280.45
Hydrogen bond acceptor17
Hydrogen bond donor13
XlogP4.1
SynonymsN/A
Inchi KeyATLXITDKIZNILM-YIFZSSHNSA-N
Inchi IDInChI=1S/C66H81N13O14/c1-5-39(4)55(62(89)74-49(33-44-35-69-37-71-44)63(90)78-30-16-24-51(78)59(86)75-50(64(91)92)32-40-17-9-6-10-18-40)77-58(85)48(31-41-25-27-45(80)28-26-41)73-61(88)54(38(2)3)76-57(84)47(23-15-29-70-65(67)68)72-60(87)52(34-53(81)82)79-36-46(42-19-11-7-12-20-42)56(83)66(79,93)43-21-13-8-14-22-43/h6-14,17-22,25-28,35-39,47-52,54-55,80,93H,5,15-16,23-24,29-34H2,1-4H3,(H,69,71)(H,72,87)(H,73,88)(H,74,89)(H,75,86)(H,76,84)(H,77,85)(H,81,82)(H,91,92)(H4,67,68,70)/t39-,47-,48-,49-,50-,51-,52-,54-,55-,66?/m0/s1
PubChem CID90679288
ChEMBLCHEMBL3275931
IUPHARN/A
BindingDBN/A
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
RBA3.0 -PMID214560ChEMBL

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