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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

NameCHEMBL597150
Molecular formulaC30H40N4O7
IUPAC name(4S)-4-[[4-(3-hydroxypropyl)-6-phenylpyridine-2-carbonyl]amino]-5-oxo-5-(4-pentoxycarbonylpiperazin-1-yl)pentanoic acid
Molecular weight568.671
Hydrogen bond acceptor8
Hydrogen bond donor3
XlogP2.9
SynonymsBDBM50307680
(4S)-4-({[4-(3-Hydroxypropyl)-6-phenylpyridin-2-yl]carbonyl}-amino)-5-oxo-5-{4-[(pentyloxy)carbonyl]piperazin-1-yl}pentanoic Acid
Inchi KeyAMUKYTROGRJGRA-DEOSSOPVSA-N
Inchi IDInChI=1S/C30H40N4O7/c1-2-3-7-19-41-30(40)34-16-14-33(15-17-34)29(39)24(12-13-27(36)37)32-28(38)26-21-22(9-8-18-35)20-25(31-26)23-10-5-4-6-11-23/h4-6,10-11,20-21,24,35H,2-3,7-9,12-19H2,1H3,(H,32,38)(H,36,37)/t24-/m0/s1
PubChem CID45140556
ChEMBLCHEMBL597150
IUPHARN/A
BindingDB50307680
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Experimental Data

ParameterValueReferenceDatabase source
Ki3.8 nMPMID20141147BindingDB,ChEMBL

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