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GLASS

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Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
Go to the GPCR page and check other ligands which interact with it.
Go to the ligand page and check other GPCRs which it interacts with.
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GPCR

Name	Type-1 angiotensin II receptor
Species	Bos taurus (Bovine)
Gene	AGTR1
Synonym	Angiotensin II type-1 receptor AT1
Disease	N/A for non-human GPCRs
Length	359
Amino acid sequence	MILNSSTEDGIKRIQDDCPKAGRHNYIFIMIPTLYSIIFVVGIFGNSLVVIVIYFYMKLKTVASVFLLNLALADLCFLLTLPLWAVYTAMEYRWPFGNYLCKIASASVSFNLYASVFLLTCLSIDRYLAIVHPMKSRLRRTMLVAKVTCIIIWLLAGLASLPTIIHRNVFFIENTNITVCAFHYESQNSTLPVGLGLTKNILGFLFPFLIILTSYTLIWKTLKKAYEIQKNKPRKDDIFKIILAIVLFFFFSWVPHQIFTFMDVLIQLGLIRDCKIEDIVDTAMPITICLAYFNNCLNPLFYGFLGKKFKKYFLQLLKYIPPKAKSHSNLSTKMSTLSYRPSENGNSSTKKPAPCIEVE
UniProt	P25104
Protein Data Bank	N/A
GPCR-HGmod model	N/A
3D structure model	No available structures or models
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL3374
IUPHAR	N/A
DrugBank	N/A

Ligand

Name	CHEMBL428475
Molecular formula	C48H69N13O10
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 weight	988.161
Hydrogen bond acceptor	13
Hydrogen bond donor	12
XlogP	-1.0
Synonyms	BDBM50422230
Inchi Key	GSWMBMLSANAKLE-BAYAHZKWSA-N
Inchi ID	InChI=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 CID	44340063
ChEMBL	CHEMBL428475
IUPHAR	N/A
BindingDB	50422230
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This 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

Parameter	Value	Reference	Database source
Kd	1.4 nM	PMID9379447	BindingDB
Kd	1.413 nM	PMID9379447	ChEMBL
RA	407.38 -	PMID9379447	ChEMBL

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