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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.
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GPCR

Name	N-formyl peptide receptor 2
Species	Homo sapiens (Human)
Gene	FPR2
Synonym	FPRH1 FPRH2 FPRL1 HM63 Lipoxin A4 receptor LXA4 receptor LXA4R FPR2A FPR2/ALX Fpr-rs2 ALX ALX/FPR2 ALXR FMLP-R-I FMLP-related receptor I FMLPX formyl peptide receptor 2 formyl peptide receptor, related sequence 2 Formyl peptide receptor-like 1 RFP [ Show all ]
Disease	N/A
Length	351
Amino acid sequence	METNFSTPLNEYEEVSYESAGYTVLRILPLVVLGVTFVLGVLGNGLVIWVAGFRMTRTVTTICYLNLALADFSFTATLPFLIVSMAMGEKWPFGWFLCKLIHIVVDINLFGSVFLIGFIALDRCICVLHPVWAQNHRTVSLAMKVIVGPWILALVLTLPVFLFLTTVTIPNGDTYCTFNFASWGGTPEERLKVAITMLTARGIIRFVIGFSLPMSIVAICYGLIAAKIHKKGMIKSSRPLRVLTAVVASFFICWFPFQLVALLGTVWLKEMLFYGKYKIIDILVNPTSSLAFFNSCLNPMLYVFVGQDFRERLIHSLPTSLERALSEDSAPTNDTAANSASPPAETELQAM
UniProt	P25090
Protein Data Bank	N/A
GPCR-HGmod model	P25090
3D structure model	This predicted structure model is from GPCR-EXP P25090.
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL4227
IUPHAR	223
DrugBank	N/A

Ligand

Name	MLS000089738
Molecular formula	C18H21N7O3
IUPAC name	propan-2-yl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)triazole-4-carboxylate
Molecular weight	383.412
Hydrogen bond acceptor	9
Hydrogen bond donor	1
XlogP	1.5
Synonyms	MCULE-2712630522 ZINC27531504 AKOS001616433 propan-2-yl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)triazole-4-carboxylate HMS2508M06 SR-01000457155 BDBM37688 CHEMBL1568452 propan-2-yl 1-(4-azanyl-1,2,5-oxadiazol-3-yl)-5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,2,3-triazole-4-carboxylate 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-4-triazolecarboxylic acid propan-2-yl ester isopropyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(3,4-dihydroisoquinolin-2(1H)-ylmethyl)-1H-1,2,3-triazole-4-carboxylate SR-01000457155-1 AC1LKH78 Oprea1_058712 CCG-18121 cid_1043390 SMR000024356 1-(4-aminofurazan-3-yl)-5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)triazole-4-carboxylic acid isopropyl ester [ Show all ]
Inchi Key	AXTPHIGRLIBRCH-UHFFFAOYSA-N
Inchi ID	InChI=1S/C18H21N7O3/c1-11(2)27-18(26)15-14(25(23-20-15)17-16(19)21-28-22-17)10-24-8-7-12-5-3-4-6-13(12)9-24/h3-6,11H,7-10H2,1-2H3,(H2,19,21)
PubChem CID	1043390
ChEMBL	CHEMBL1568452
IUPHAR	N/A
BindingDB	37688
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
IC50	<66700.0 nM	N/A	BindingDB
Ki	<40300.0 nM	N/A	BindingDB

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