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BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP TM-fold DECOYS POTENTIAL RW/RWplus HPSF THE-DB CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13

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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

Known ligands

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Total entries: 1275
Page:  / 13 

GLASS IDMoleculeFormulaMolecular weightH-bond acceptor / donorXlogPLipinski's druglikeness
4322D structureCHEMBL590001C35H49N5O7651.8059 / 24.1No
5642D structureCHEMBL402633C24H28N6O5S512.5859 / 31.4No
4417212D structureCHEMBL3322638C27H36N6O7556.6210 / 31.5No
23382D structureCHEMBL498038C21H14N3O7S-452.41710 / 42.3Yes
4418302D structureCHEMBL3325646C31H36N6O3540.6685 / 23.5No
30552D structureCHEMBL3098244C23H27F3N6O4S540.56213 / 42.1No
30562D structureCHEMBL3098242C23H27F3N6O4S540.56213 / 42.1No
37572D structureFrangulin BC20H18O9402.3559 / 51.3Yes
37612D structureCHEMBL1784230C21H25ClN4O3416.9065 / 13.1Yes
41582D structurealoinC21H22O9418.3989 / 7-0.1No
52002D structureCHEMBL569912C31H41N5O6S611.7589 / 24.5No
54662D structureCHEMBL585306C25H30N6O5S526.6129 / 32.6No
54962D structureBPTUC23H22F3N3O3445.4427 / 26.1No
57062D structureCHEMBL91224C15H15N3O4301.3025 / 31.3Yes
57972D structureCHEMBL2419495C23H24F2N4O5S506.52510 / 12.7No
61562D structureCHEMBL3288129C24H27ClN4O4S503.0147 / 13.4No
61572D structureCHEMBL1162205C24H24FN4O9P562.44710 / 40.4No
4420422D structureCHEMBL3322598C29H32N6O8S624.66911 / 31.8No
83642D structureCHEMBL601907C37H50N6O7690.8429 / 23.6No
83902D structureCHEMBL402423C26H28N8O4S548.62210 / 31.5No
85322D structureCHEMBL596939C28H36N4O8556.6169 / 21.8No
88382D structureCHEMBL597980C27H35N5O7541.6059 / 31.0No
89892D structureCHEMBL2172278C26H33N5O9559.57610 / 21.6No
92732D structureCHEMBL597150C30H40N4O7568.6718 / 32.9No
94142D structureCHEMBL88525C12H9N3O4259.2215 / 30.7Yes
96312D structureCHEMBL578482C35H50N6O7666.829 / 23.6No
100792D structureCHEMBL91359C15H17N3O3287.3194 / 31.6Yes
102892D structuredoxorubicinC27H29NO11543.52512 / 61.3No
104592D structureCHEMBL2419501C21H22N4O5S442.498 / 11.8Yes
107752D structureCHEMBL599606C31H33N3O6543.626 / 23.9No
110052D structureCHEMBL2172131C34H46N8O8694.799 / 31.4No
119642D structureCHEMBL601696C35H48N6O7664.8049 / 33.3No
122692D structureCHEMBL2172132C32H43N7O8653.7379 / 31.4No
125882D structureCHEMBL569629C32H43N7O7637.73810 / 22.1No
133102D structureCHEMBL3288128C25H30N4O4S482.5997 / 13.1Yes
134842D structureCHEMBL2172153C34H45N7O9695.77410 / 32.0No
134852D structureCHEMBL2172154C34H45N7O9695.77410 / 32.0No
141292D structureCHEMBL2419498C18H19Cl2N3O5S2492.3868 / 14.0Yes
5218842D structureCHEMBL3745863C27H37ClN10Na4O16P4S41137.1928 / 6N/ANo
150632D structureCHEMBL566613C33H47N7O6637.78210 / 30.7No
150812D structureCHEMBL88218C20H24N4O3368.4374 / 32.6Yes
156552D structureCHEMBL549594C30H32N4O6544.6088 / 21.0No
159012D structureCHEMBL524284C21H12ClN2O7S-471.8449 / 33.7Yes
165732D structureCHEMBL565249C31H43N7O6609.72810 / 40.4No
165782D structureCHEMBL567840C31H43N7O6609.72810 / 20.3No
167442D structureCHEMBL502519C27H18N3O7S-528.51510 / 45.1No
169262D structureCHEMBL89660C18H20N4O4356.3825 / 20.6Yes
174882D structureCHEMBL1162179C20H23N6O8P506.41211 / 4-1.0No
175482D structureCHEMBL1784212C23H23ClN4O3438.9125 / 14.1Yes
175932D structureCHEMBL445413C21H15N2O5S-407.427 / 23.9Yes
183182D structureCHEMBL91579C16H17N3O4315.3295 / 11.4Yes
4423882D structureCHEMBL3325636C33H40N6O3568.7225 / 14.2No
5220282D structureCHEMBL3746558C22H28N10Na4O17P4S41048.6129 / 6N/ANo
191552D structureCHEMBL2172264C29H37N7O9627.65510 / 30.3No
193782D structureCHEMBL570064C34H47N7O6649.79310 / 21.1No
4424362D structureCHEMBL3325626C27H28N4O4472.5455 / 24.1Yes
203792D structureCHEMBL1162180C26H33N5O22P4891.45822 / 8-6.5No
206952D structureCHEMBL590256C34H47N5O7637.7789 / 23.7No
207432D structureCHEMBL64383C22H30N2O4386.4926 / 03.1Yes
212202D structureCHEMBL601692C37H52N6O6676.8599 / 22.1No
217592D structureCHEMBL601270C33H45N5O7623.7519 / 23.5No
217672D structureCHEMBL2172149C35H47N7O9709.80110 / 32.5No
219042D structureCHEMBL562485C26H32N4O8528.5629 / 30.9No
221412D structureCHEMBL1784235C24H24F3N5O3487.4839 / 13.2Yes
225092D structureCHEMBL250687C22H28N6O3S456.5659 / 42.7Yes
4425502D structureCHEMBL3325804C34H36ClN7O4642.1577 / 14.2No
227472D structureCHEMBL404659C20H12N3O7S-438.399 / 23.3Yes
229632D structureCHEMBL603144C36H50N6O6662.8329 / 21.9No
230402D structureCHEMBL590069C37H52N6O8708.85710 / 23.4No
232782D structureCHEMBL601447C36H51N7O7693.8469 / 23.1No
234092D structureCHEMBL561007C29H37N5O7567.6439 / 3-0.6No
240042D structureCHEMBL570423C28H37N5O7S587.69210 / 32.5No
244782D structureCHEMBL1162183C26H33N5O22P4891.45822 / 8-6.5No
245732D structureCHEMBL570150C31H42N8O7638.72610 / 31.5No
4426502D structureCHEMBL3325891C28H31ClN8O3563.0597 / 12.4No
251062D structureCHEMBL91899C14H15N3O3273.2924 / 21.4Yes
251072D structureCHEMBL398295C21H26N6O3S442.5389 / 42.0Yes
253272D structureCHEMBL1784205C20H23ClN4O3402.8795 / 13.2Yes
256492D structureCHEMBL592887C34H42F3N5O8705.73212 / 24.1No
259292D structureCHEMBL552972C32H43N5O7609.7249 / 30.8No
264142D structureCHEMBL1162188C25H25N6O8P568.48311 / 40.7No
265392D structureCHEMBL2402156C21H22F3N5O3S481.49410 / 12.9Yes
268442D structurePSB 06126C24H15N2NaO5S466.4437 / 2N/AN/A
277622D structureCHEMBL556330C34H48N6O6636.7949 / 31.2No
4427782D structureCHEMBL3325783C32H36F2N6O3590.6767 / 14.4No
4427812D structureCHEMBL3325639C32H38N6O3554.6955 / 24.1No
284572D structureCHEMBL568567C19H23F3N6O4S488.48611 / 32.0No
285772D structureCHEMBL569908C32H46N6O7626.75510 / 21.2No
291432D structureCHEMBL571929C32H44N6O6608.749 / 24.1No
291482D structureCHEMBL590950C35H47N5O8665.7889 / 23.2No
293622D structureCHEMBL589198C34H48N6O6636.7949 / 21.4No
299122D structureCHEMBL596961C29H38N4O7554.6448 / 23.3No
302772D structureCHEMBL1784181C21H26ClN5O2415.9224 / 12.8Yes
304452D structureCHEMBL568148C28H31N5O3S517.6488 / 35.0No
310332D structure40951-76-6C20H14N3NaO5S431.3988 / 3N/AN/A
4429182D structureCHEMBL3325633C30H36N6O3528.6575 / 23.3No
322402D structureCHEMBL569913C32H43N5O6S625.7859 / 25.0No
325622D structureCHEMBL590364C30H39N5O7581.679 / 22.2No
328002D structureCHEMBL600575C36H49N5O9695.81410 / 24.0No
331402D structureCHEMBL568334C30H31N5O4S557.6699 / 25.0No

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