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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

NameCHEMBL3322598
Molecular formulaC29H32N6O8S
IUPAC name(4S)-4-[[6-(benzenesulfonamido)-2-phenylpyrimidine-4-carbonyl]amino]-5-(4-ethoxycarbonylpiperazin-1-yl)-5-oxopentanoic acid
Molecular weight624.669
Hydrogen bond acceptor11
Hydrogen bond donor3
XlogP1.8
SynonymsBDBM50057270
SCHEMBL2583390
Inchi KeyALKDZRHBQQEWFQ-QFIPXVFZSA-N
Inchi IDInChI=1S/C29H32N6O8S/c1-2-43-29(40)35-17-15-34(16-18-35)28(39)22(13-14-25(36)37)31-27(38)23-19-24(32-26(30-23)20-9-5-3-6-10-20)33-44(41,42)21-11-7-4-8-12-21/h3-12,19,22H,2,13-18H2,1H3,(H,31,38)(H,36,37)(H,30,32,33)/t22-/m0/s1
PubChem CID12000848
ChEMBLCHEMBL3322598
IUPHARN/A
BindingDB50057270
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 10 hydrogen bond acceptor.
This ligand is heavier than 500 daltons.

Experimental Data

ParameterValueReferenceDatabase source
IC50266.0 nMPMID25113932BindingDB,ChEMBL

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