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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 1
Species	Homo sapiens (Human)
Gene	P2RY1
Synonym	ATP receptor Purinergic receptor P2Y1 purinergic receptor P2Y Purinergic receptor platelet ADP receptor P2Y1 receptor P2Y1 P2Y purinoceptor 1 P2Y ATP receptor 1 ADP receptor {ECO:0000303\|PubMed:9038354} P2 purinoceptor subtype Y1 [ Show all ]
Disease	Thrombosis
Length	373
Amino acid sequence	MTEVLWPAVPNGTDAAFLAGPGSSWGNSTVASTAAVSSSFKCALTKTGFQFYYLPAVYILVFIIGFLGNSVAIWMFVFHMKPWSGISVYMFNLALADFLYVLTLPALIFYYFNKTDWIFGDAMCKLQRFIFHVNLYGSILFLTCISAHRYSGVVYPLKSLGRLKKKNAICISVLVWLIVVVAISPILFYSGTGVRKNKTITCYDTTSDEYLRSYFIYSMCTTVAMFCVPLVLILGCYGLIVRALIYKDLDNSPLRRKSIYLVIIVLTVFAVSYIPFHVMKTMNLRARLDFQTPAMCAFNDRVYATYQVTRGLASLNSCVDPILYFLAGDTFRRRLSRATRKASRRSEANLQSKSEDMTLNILPEFKQNGDTSL
UniProt	P47900
Protein Data Bank	4xnv, 4xnw
GPCR-HGmod model	P47900
3D structure model	This structure is from PDB ID 4xnv.
BioLiP	BL0311594,BL0311596, BL0311593, BL0311590,BL0311591,BL0311592, BL0311589, BL0311588, BL0311595,BL0311597
Therapeutic Target Database	T67818
ChEMBL	CHEMBL4315
IUPHAR	323
DrugBank	N/A

Ligand

Name	CHEMBL2071529
Molecular formula	C19H18ClN5O5S
IUPAC name	1-(3-chlorophenyl)-3-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]urea
Molecular weight	463.893
Hydrogen bond acceptor	8
Hydrogen bond donor	3
XlogP	3.5
Synonyms	AC1LNSCK F0348-3162 ARONIS007830 MolPort-001-583-351 312590-36-6 4-{[(3-chlorophenyl)carbamoyl]amino}-N-(2,6-dimethoxypyrimidin-4-yl)benzenesulfonamide ZINC1003809 AKOS000497332 KS-00003ZT8 BB0284816 Oprea1_759949 4-(3-(3-chlorophenyl)ureido)-N-(2,6-dimethoxypyrimidin-4-yl)benzenesulfonamide AN-329/42548515 MCULE-5992764530 1-(3-chlorophenyl)-3-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]urea 4-({[(3-chlorophenyl)amino]carbonyl}amino)-N-(2,6-dimethoxy-4-pyrimidinyl)benzenesulfonamide BDBM50390013 STL063158 [ Show all ]
Inchi Key	BKBZRXSPMLJDFI-UHFFFAOYSA-N
Inchi ID	InChI=1S/C19H18ClN5O5S/c1-29-17-11-16(23-19(24-17)30-2)25-31(27,28)15-8-6-13(7-9-15)21-18(26)22-14-5-3-4-12(20)10-14/h3-11H,1-2H3,(H2,21,22,26)(H,23,24,25)
PubChem CID	1226686
ChEMBL	CHEMBL2071529
IUPHAR	N/A
BindingDB	50390013
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Ki	6000.0 nM	PMID22831801	BindingDB,ChEMBL

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