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GPCR

Name	Glucagon-like peptide 1 receptor
Species	Homo sapiens (Human)
Gene	GLP1R
Synonym	glucagon-like peptide 1 receptor GLP-1R GLP-1-R GLP-1 receptor
Disease	Type 1/2 diabetes Type 1 diabetes Obesity Non-insulin dependent diabetes Non-alcoholic steatohepatitis Irritable bowel syndrome; Dyspepsia Unspecified Diabetes Brain injury Type 2 diabetes [ Show all ]
Length	463
Amino acid sequence	MAGAPGPLRLALLLLGMVGRAGPRPQGATVSLWETVQKWREYRRQCQRSLTEDPPPATDLFCNRTFDEYACWPDGEPGSFVNVSCPWYLPWASSVPQGHVYRFCTAEGLWLQKDNSSLPWRDLSECEESKRGERSSPEEQLLFLYIIYTVGYALSFSALVIASAILLGFRHLHCTRNYIHLNLFASFILRALSVFIKDAALKWMYSTAAQQHQWDGLLSYQDSLSCRLVFLLMQYCVAANYYWLLVEGVYLYTLLAFSVLSEQWIFRLYVSIGWGVPLLFVVPWGIVKYLYEDEGCWTRNSNMNYWLIIRLPILFAIGVNFLIFVRVICIVVSKLKANLMCKTDIKCRLAKSTLTLIPLLGTHEVIFAFVMDEHARGTLRFIKLFTELSFTSFQGLMVAILYCFVNNEVQLEFRKSWERWRLEHLHIQRDSSMKPLKCPTSSLSSGATAGSSMYTATCQASCS
UniProt	P43220
Protein Data Bank	5vex, 3c59, 3c5t, 5nx2, 3iol, 4zgm, 5otu, 5vew, 5otw, 5otx, 5otv
GPCR-HGmod model	P43220
3D structure model	This structure is from PDB ID 5vex.
BioLiP	BL0418498,BL0418499, BL0143794, BL0143795, BL0167479, BL0167480, BL0324354, BL0324355,BL0324356, BL0378791,BL0378792, BL0379513,BL0379514, BL0418500,BL0418501, BL0380967, BL0418494,BL0418495, BL0418496,BL0418497, BL0143732, BL0143731, BL0380966
Therapeutic Target Database	T36075
ChEMBL	CHEMBL1784
IUPHAR	249
DrugBank	BE0000857

Ligand

Name	SMR000047897
Molecular formula	C17H16N2O4
IUPAC name	4-[4-(4-methoxyphenoxy)-5-methyl-1H-pyrazol-3-yl]benzene-1,3-diol
Molecular weight	312.325
Hydrogen bond acceptor	5
Hydrogen bond donor	3
XlogP	3.1
Synonyms	AC1NUBTS F3385-1586 STK718687 (4Z)-3-hydroxy-4-[4-(4-methoxyphenoxy)-5-methyl-1,2-dihydropyrazol-3-ylidene]cyclohexa-2,5-dien-1-one AZSKFDMVCSRCDG-UHFFFAOYSA-N MLS000042418 ZINC18083446 4-[4-(4-methoxyphenoxy)-5-methyl-1H-pyrazol-3-yl]-1,3-benzenediol 879444-35-6 CHEMBL1468579 REGID_for_CID_5390025 (4E)-3-hydroxy-4-[4-(4-methoxyphenoxy)-5-methyl-3-pyrazolin-3-ylidene]cyclohexa-2,5-dien-1-one AC1OA4QR HMS2367N12 VU0616898-1 3-hydroxy-4-[4-(4-methoxyphenoxy)-5-methyl-1,2-dihydropyrazol-3-ylidene]cyclohexa-2,5-dien-1-one 4-[4-(4-methoxyphenoxy)-5-methyl-1H-pyrazol-3-yl]benzene-1,3-diol BDBM42414 MolPort-000-794-599 (4E)-3-hydroxy-4-[4-(4-methoxyphenoxy)-5-methyl-1,2-dihydropyrazol-3-ylidene]-1-cyclohexa-2,5-dienone AC1NTX1M cid_5390025 (4E)-4-[4-(4-methoxyphenoxy)-5-methyl-1,2-dihydropyrazol-3-ylidene]-3-oxidanyl-cyclohexa-2,5-dien-1-one AKOS002226539 MCULE-8461476425 Z274319246 4-(4-(4-methoxyphenoxy)-5-methyl-1H-pyrazol-3-yl)benzene-1,3-diol MolPort-002-641-402 (4E)-3-hydroxy-4-[4-(4-methoxyphenoxy)-5-methyl-1,2-dihydropyrazol-3-ylidene]cyclohexa-2,5-dien-1-one [ Show all ]
Inchi Key	AZSKFDMVCSRCDG-UHFFFAOYSA-N
Inchi ID	InChI=1S/C17H16N2O4/c1-10-17(23-13-6-4-12(22-2)5-7-13)16(19-18-10)14-8-3-11(20)9-15(14)21/h3-9,20-21H,1-2H3,(H,18,19)
PubChem CID	666539
ChEMBL	CHEMBL1468579
IUPHAR	N/A
BindingDB	42414
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Potency	31622.8 nM	PubChem BioAssay data set	ChEMBL

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