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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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GPCR

Name	P2Y purinoceptor 14
Species	Homo sapiens (Human)
Gene	P2RY14
Synonym	G-protein coupled receptor 105 GPR105 G protein-coupled receptor 105 P2Y purinoceptor 14 P2Y14 P2Y14 receptor purinergic receptor P2Y G protein coupled receptor for UDP-glucose UDP-glucose receptor [ Show all ]
Disease	N/A
Length	338
Amino acid sequence	MINSTSTQPPDESCSQNLLITQQIIPVLYCMVFIAGILLNGVSGWIFFYVPSSKSFIIYLKNIVIADFVMSLTFPFKILGDSGLGPWQLNVFVCRVSAVLFYVNMYVSIVFFGLISFDRYYKIVKPLWTSFIQSVSYSKLLSVIVWMLMLLLAVPNIILTNQSVREVTQIKCIELKSELGRKWHKASNYIFVAIFWIVFLLLIVFYTAITKKIFKSHLKSSRNSTSVKKKSSRNIFSIVFVFFVCFVPYHIARIPYTKSQTEAHYSCQSKEILRYMKEFTLLLSAANVCLDPIIYFFLCQPFREILCKKLHIPLKAQNDLDISRIKRGNTTLESTDTL
UniProt	Q15391
Protein Data Bank	N/A
GPCR-HGmod model	Q15391
3D structure model	This predicted structure model is from GPCR-EXP Q15391.
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL4518
IUPHAR	330
DrugBank	N/A

Ligand

Name	AST 487
Molecular formula	C26H30F3N7O2
IUPAC name	1-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-[4-[6-(methylamino)pyrimidin-4-yl]oxyphenyl]urea
Molecular weight	529.568
Hydrogen bond acceptor	10
Hydrogen bond donor	3
XlogP	3.8
Synonyms	BCP21589 EX-A1374 NVP-AST 487 W-5519 1-(4-((4-Ethylpiperazin-1-yl)methyl)-3-(trifluoromethyl)phenyl)-3-(4-((6-(methylamino)pyrimidin-4-yl)oxy)phenyl)urea AKOS030526863 CHEMBL574738 J-519601 RL04396 1-[4-[(4-ethylpiperazino)methyl]-3-(trifluoromethyl)phenyl]-3-[4-[6-(methylamino)pyrimidin-4-yl]oxyphenyl]urea AST-487 D0N7AJ MolPort-028-617-380 UNII-W34UO2M4T6 3455AH BDBM31085 GTPL5661 NVP-AST-487 W34UO2M4T6 1-[4-[(4-ethyl-1-piperazinyl)methyl]-3-(trifluoromethyl)phenyl]-3-[4-[[6-(methylamino)-4-pyrimidinyl]oxy]phenyl]urea cid_11409972 KB-74747 SCHEMBL1684259 3-{4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}-1-(4-{[6-(methylamino)pyrimidin-4-yl]oxy}phenyl)urea AST-487/AST487 DTXSID70212239 NCGC00354729-03 Urea, N-(4-((4-ethyl-1-piperazinyl)methyl)-3-(trifluoromethyl)phenyl)-N'-(4-((6-(methylamino)-4-pyrimidinyl)oxy)phenyl)- 630124-46-8 C26H30F3N7O2 HY-15002 NVP-AST487 ZINC23247639 1-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-[4-[6-(methylamino)pyrimidin-4-yl]oxyphenyl]urea AST-48 CS-0779 Kinome_3855 SYN1210 [ Show all ]
Inchi Key	ODPGGGTTYSGTGO-UHFFFAOYSA-N
Inchi ID	InChI=1S/C26H30F3N7O2/c1-3-35-10-12-36(13-11-35)16-18-4-5-20(14-22(18)26(27,28)29)34-25(37)33-19-6-8-21(9-7-19)38-24-15-23(30-2)31-17-32-24/h4-9,14-15,17H,3,10-13,16H2,1-2H3,(H,30,31,32)(H2,33,34,37)
PubChem CID	11409972
ChEMBL	N/A
IUPHAR	N/A
BindingDB	31085
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
Kd	1400000.0 nM	N/A	BindingDB

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