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GPCR

NameP2Y purinoceptor 12
SpeciesHomo sapiens (Human)
GeneP2RY12
SynonymP2Y12 platelet ADP receptor
P2Y12 receptor
P2YADP
purinergic receptor P2Y
P2Y12
[ Show all ]
DiseaseN/A
Length342
Amino acid sequenceMQAVDNLTSAPGNTSLCTRDYKITQVLFPLLYTVLFFVGLITNGLAMRIFFQIRSKSNFIIFLKNTVISDLLMILTFPFKILSDAKLGTGPLRTFVCQVTSVIFYFTMYISISFLGLITIDRYQKTTRPFKTSNPKNLLGAKILSVVIWAFMFLLSLPNMILTNRQPRDKNVKKCSFLKSEFGLVWHEIVNYICQVIFWINFLIVIVCYTLITKELYRSYVRTRGVGKVPRKKVNVKVFIIIAVFFICFVPFHFARIPYTLSQTRDVFDCTAENTLFYVKESTLWLTSLNACLDPFIYFFLCKSFRNSLISMLKCPNSATSLSQDNRKKEQDGGDPNEETPM
UniProtQ9H244
Protein Data Bank4py0, 4pxz, 4ntj
GPCR-HGmod modelQ9H244
3D structure modelThis structure is from PDB ID 4py0.
BioLiPBL0272414,BL0272415, BL0276068, BL0276067, BL0276066, BL0272413
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL2001
IUPHAR328
DrugBankBE0000110

Ligand

NameCHEMBL2419501
Molecular formulaC21H22N4O5S
IUPAC nameethyl 6-[3-(benzylsulfonylcarbamoyl)azetidin-1-yl]-5-cyano-2-methylpyridine-3-carboxylate
Molecular weight442.49
Hydrogen bond acceptor8
Hydrogen bond donor1
XlogP1.8
Synonyms5-Cyano-2-methyl-6 (3-phenylmethanesulfonylaminocarbonyl-azetidin-1-yl)-nicotinic acid ethyl ester
ZINC34846050
AOOWVFPXPVQQGP-UHFFFAOYSA-N
5-Cyano-2-methyl-6-(3-phenylmethanesulfonylaminocarbonyl-azetidin-1-yl)-nicotinic acid ethyl ester
BDBM50439281
[ Show all ]
Inchi KeyAOOWVFPXPVQQGP-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H22N4O5S/c1-3-30-21(27)18-9-16(10-22)19(23-14(18)2)25-11-17(12-25)20(26)24-31(28,29)13-15-7-5-4-6-8-15/h4-9,17H,3,11-13H2,1-2H3,(H,24,26)
PubChem CID15983546
ChEMBLCHEMBL2419501
IUPHARN/A
BindingDB50439281
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Experimental Data

ParameterValueReferenceDatabase source
IC5017.0 nMPMID23899349BindingDB,ChEMBL
IC5033.0 nMPMID23899349BindingDB,ChEMBL
IC502400.0 nMPMID23899349BindingDB,ChEMBL

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