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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

Name40951-76-6
Molecular formulaC20H14N3NaO5S
IUPAC namesodium;1-amino-4-(4-aminoanilino)-9,10-dioxoanthracene-2-sulfonate
Molecular weight431.398
Hydrogen bond acceptor8
Hydrogen bond donor3
XlogPNone
SynonymsSODIUM 1-AMINO-4-[(4-AMINOPHENYL)AMINO]-9,10-DIHYDRO-9,10-DIOXOANTHRACENE-2-SULFONATE
CTK4I4061
1-Amino-2-(sodiooxysulfonyl)-4-(4-aminophenylamino)-9,10-anthraquinone
SCHEMBL3029895
2-Anthracenesulfonicacid, 1-amino-4-[(4-aminophenyl)amino]-9,10-dihydro-9,10-dioxo-, sodium salt(1:1)
[ Show all ]
Inchi KeyBRJFZCXWKYXAOE-UHFFFAOYSA-M
Inchi IDInChI=1S/C20H15N3O5S.Na/c21-10-5-7-11(8-6-10)23-14-9-15(29(26,27)28)18(22)17-16(14)19(24)12-3-1-2-4-13(12)20(17)25;/h1-9,23H,21-22H2,(H,26,27,28);/q;+1/p-1
PubChem CID23662764
ChEMBLCHEMBL496012
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessPartition coefficient log P of this ligand is not available.

Experimental Data

ParameterValueReferenceDatabase source
Inhibition30.0 %PMID19463000ChEMBL
Ki<10000.0 nMPMID19463000ChEMBL

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