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Q99571 | P2RX4_HUMAN | P2X purinoceptor 4 (P2RX4)

3D structures mapped by conservation among orthologs



[ Alpha Fold Model ] (go)


Known binders annotated in ChEMBL

IC50 table Ki table

molecule_chembl_id structure assay_type relation values units mol_wt smiles organism assay_chembl_id bao_label
CHEMBL4452312 OBDepict CH 3 O N H O S O O O H 2 N Cl IC50 = 2.0 nM 446.91 COc1ccccc1CC(=O)Nc1ccc(Oc2cccc(Cl)c2)c(S(N)(=O)=O)c1 Homo sapiens CHEMBL4324752 cell-based format
CHEMBL4471140 OBDepict O N H Cl S O O O NH 2 IC50 = 2.0 nM 430.91 NS(=O)(=O)c1cc(NC(=O)Cc2ccccc2Cl)ccc1OCc1ccccc1 Homo sapiens CHEMBL4324752 cell-based format
CHEMBL4589444 OBDepict O N H Cl S O O O NH 2 IC50 = 5.0 nM 408.91 NS(=O)(=O)c1cc(NC(=O)Cc2ccccc2Cl)ccc1OCC1CCC1 Homo sapiens CHEMBL4324752 cell-based format
CHEMBL4579583 OBDepict CH 3 O O S O O H 2 N HN O Cl IC50 = 8.0 nM 446.91 COc1cccc(Oc2ccc(NC(=O)Cc3ccccc3Cl)cc2S(N)(=O)=O)c1 Homo sapiens CHEMBL4324752 cell-based format
CHEMBL4447043 OBDepict O N H F Cl S O O O NH 2 Cl IC50 = 9.0 nM 469.32 NS(=O)(=O)c1cc(NC(=O)Cc2c(F)cccc2Cl)ccc1Oc1cccc(Cl)c1 Homo sapiens CHEMBL4324752 cell-based format
CHEMBL4522504 OBDepict O NH H 3 C S O O O H 2 N Cl IC50 = 10.0 nM 430.91 Cc1ccccc1CC(=O)Nc1ccc(Oc2cccc(Cl)c2)c(S(N)(=O)=O)c1 Homo sapiens CHEMBL4324752 cell-based format
CHEMBL4556573 OBDepict O N H Cl S O O O NH 2 IC50 = 10.0 nM 416.89 NS(=O)(=O)c1cc(NC(=O)Cc2ccccc2Cl)ccc1Oc1ccccc1 Homo sapiens CHEMBL4324752 cell-based format
CHEMBL4555657 OBDepict O N H F Cl S O O O NH 2 O IC50 = 13.0 nM 456.92 NS(=O)(=O)c1cc(NC(=O)Cc2c(F)cccc2Cl)ccc1OCC1CCOCC1 Homo sapiens CHEMBL4324752 cell-based format
CHEMBL4516176 OBDepict O N H Cl S O O O NH 2 Cl IC50 = 13.0 nM 451.33 NS(=O)(=O)c1cc(NC(=O)Cc2ccccc2Cl)ccc1Oc1ccccc1Cl Homo sapiens CHEMBL4324752 cell-based format
CHEMBL4521017 OBDepict O N H Cl Cl S O O O NH 2 Cl IC50 = 15.0 nM 485.78 NS(=O)(=O)c1cc(NC(=O)Cc2c(Cl)cccc2Cl)ccc1Oc1cccc(Cl)c1 Homo sapiens CHEMBL4324752 cell-based format
CHEMBL4563994 OBDepict O N H Cl S O O O NH 2 IC50 = 19.0 nM 444.94 NS(=O)(=O)c1cc(NC(=O)Cc2ccccc2Cl)ccc1OCCc1ccccc1 Homo sapiens CHEMBL4324752 cell-based format
CHEMBL4438327 OBDepict O N H F F F S O O O NH 2 Cl IC50 = 24.0 nM 484.88 NS(=O)(=O)c1cc(NC(=O)Cc2ccccc2C(F)(F)F)ccc1Oc1cccc(Cl)c1 Homo sapiens CHEMBL4324752 cell-based format
CHEMBL4439570 OBDepict O N H Cl S O O O NH 2 N IC50 = 26.0 nM 431.9 NS(=O)(=O)c1cc(NC(=O)Cc2ccccc2Cl)ccc1OCc1ccccn1 Homo sapiens CHEMBL4324752 cell-based format
CHEMBL4535761 OBDepict O N H Cl S O O O NH 2 N Cl IC50 = 27.0 nM 452.32 NS(=O)(=O)c1cc(NC(=O)Cc2ccccc2Cl)ccc1Oc1cncc(Cl)c1 Homo sapiens CHEMBL4324752 cell-based format
CHEMBL4463320 OBDepict O N H Cl S O O O NH 2 N S IC50 = 30.0 nM 500.0 NS(=O)(=O)c1cc(NC(=O)Cc2ccccc2Cl)ccc1Oc1ccc(-c2nccs2)cc1 Homo sapiens CHEMBL4324752 cell-based format
CHEMBL4517831 OBDepict O N H Cl F S O O O NH 2 O IC50 = 37.0 nM 456.92 NS(=O)(=O)c1cc(NC(=O)Cc2cccc(F)c2Cl)ccc1OCC1CCOCC1 Homo sapiens CHEMBL4324752 cell-based format
CHEMBL4539658 OBDepict O N H Cl S O O O NH 2 IC50 = 39.0 nM 422.93 NS(=O)(=O)c1cc(NC(=O)Cc2ccccc2Cl)ccc1OC1CCCCC1 Homo sapiens CHEMBL4324752 cell-based format
CHEMBL4640175 OBDepict Cl HO N H O + N O _ O F F F IC50 = 42.6 nM 360.68 O=C(Nc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1cc(Cl)ccc1O Homo sapiens CHEMBL4615161 cell-based format
CHEMBL4474747 OBDepict O N H Cl S O O O NH 2 N O O IC50 = 45.0 nM 530.0 NS(=O)(=O)c1cc(NC(=O)Cc2ccccc2Cl)ccc1Oc1cccc(C(=O)N2CCOCC2)c1 Homo sapiens CHEMBL4324752 cell-based format
CHEMBL2338695 OBDepict O N H OH Cl F F F F F F IC50 = 48.8 nM 383.68 O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cccc(Cl)c1O Homo sapiens CHEMBL4615161 cell-based format
CHEMBL4443234 OBDepict O N H S CH 3 O O O NH 2 Cl IC50 = 52.0 nM 430.91 Cc1cccc(CC(=O)Nc2ccc(Oc3cccc(Cl)c3)c(S(N)(=O)=O)c2)c1 Homo sapiens CHEMBL4324752 cell-based format
CHEMBL4557633 OBDepict O NH O N N H S O O Cl IC50 = 54.0 nM 505.98 O=C1CC(=O)N(c2ccc(NS(=O)(=O)Cc3ccccc3Cl)cc2)c2ccc3ccccc3c2N1 Homo sapiens CHEMBL4324805 cell-based format
CHEMBL4438981 OBDepict O N H Cl S O O O NH 2 N N N IC50 = 67.0 nM 483.94 NS(=O)(=O)c1cc(NC(=O)Cc2ccccc2Cl)ccc1Oc1cccc(-n2cnnc2)c1 Homo sapiens CHEMBL4324752 cell-based format
CHEMBL4561582 OBDepict O N H Cl S O O O NH 2 O IC50 = 75.0 nM 486.98 NS(=O)(=O)c1cc(NC(=O)Cc2ccccc2Cl)ccc1Oc1ccc(C2CCOC2)cc1 Homo sapiens CHEMBL4324752 cell-based format
CHEMBL4516450 OBDepict O N H F S O O O NH 2 Cl IC50 = 76.0 nM 434.88 NS(=O)(=O)c1cc(NC(=O)Cc2ccccc2F)ccc1Oc1cccc(Cl)c1 Homo sapiens CHEMBL4324752 cell-based format
CHEMBL4452251 OBDepict O N H Cl F S O O O NH 2 O IC50 = 84.0 nM 456.92 NS(=O)(=O)c1cc(NC(=O)Cc2cc(F)ccc2Cl)ccc1OCC1CCOCC1 Homo sapiens CHEMBL4324752 cell-based format
CHEMBL4519162 OBDepict O N H F F F S O O O NH 2 O IC50 = 88.0 nM 472.49 NS(=O)(=O)c1cc(NC(=O)Cc2ccccc2C(F)(F)F)ccc1OCC1CCOCC1 Homo sapiens CHEMBL4324752 cell-based format
CHEMBL4449416 OBDepict O N H Cl S O O O NH 2 Cl IC50 = 92.0 nM 451.33 NS(=O)(=O)c1cc(NC(=O)Cc2ccccc2Cl)ccc1Oc1cccc(Cl)c1 Homo sapiens CHEMBL4324752 cell-based format
CHEMBL4579675 OBDepict O NH Cl S O O O H 2 N HN O H 3 C IC50 = 93.0 nM 473.94 CC(=O)Nc1cccc(Oc2ccc(NC(=O)Cc3ccccc3Cl)cc2S(N)(=O)=O)c1 Homo sapiens CHEMBL4324752 cell-based format
CHEMBL4513970 OBDepict H N N N N CH 3 N O N H H IC50 < 100.0 nM 342.36 Cc1c(-c2cccc(-c3nnn[nH]3)c2)c2[nH]c3ccccc3c2[nH]c1=O Homo sapiens CHEMBL4324805 cell-based format
CHEMBL4469574 OBDepict O N H F F S O O O NH 2 O IC50 = 111.0 nM 454.5 NS(=O)(=O)c1cc(NC(=O)Cc2ccccc2C(F)F)ccc1OCC1CCOCC1 Homo sapiens CHEMBL4324752 cell-based format
CHEMBL4593104 OBDepict Cl O S O O NH 2 N H O H 3 C Cl IC50 = 134.0 nM 465.36 CC(C(=O)Nc1ccc(Oc2cccc(Cl)c2)c(S(N)(=O)=O)c1)c1ccccc1Cl Homo sapiens CHEMBL4324752 cell-based format
CHEMBL2088011 OBDepict Cl N H O HO Cl IC50 = 135.0 nM 282.13 O=C(Nc1cccc(Cl)c1)c1cc(Cl)ccc1O Homo sapiens CHEMBL4615161 cell-based format
CHEMBL4442297 OBDepict O N H Cl S O O O NH 2 O IC50 = 139.0 nM 438.93 NS(=O)(=O)c1cc(NC(=O)Cc2ccccc2Cl)ccc1OCC1CCOCC1 Homo sapiens CHEMBL4324752 cell-based format
CHEMBL2179174 OBDepict Cl HO N H O F F IC50 = 155.0 nM 283.66 O=C(Nc1cc(F)cc(F)c1)c1cc(Cl)ccc1O Homo sapiens CHEMBL4615161 cell-based format
CHEMBL461542 OBDepict O N H OH F F F F F F IC50 = 155.0 nM 349.23 O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1O Homo sapiens CHEMBL4615161 cell-based format
CHEMBL536151 OBDepict Cl OH N H O F F F F F F IC50 = 156.0 nM 383.68 O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(Cl)ccc1O Homo sapiens CHEMBL4615161 cell-based format
CHEMBL4451946 OBDepict O N H Cl S O O O NH 2 N O O IC50 = 163.0 nM 515.98 NS(=O)(=O)c1cc(NC(=O)Cc2ccccc2Cl)ccc1Oc1cccc(N2CCOCC2=O)c1 Homo sapiens CHEMBL4324752 cell-based format
CHEMBL4443857 OBDepict O N H Cl S F O O O NH 2 O IC50 = 173.0 nM 456.92 NS(=O)(=O)c1cc(NC(=O)Cc2ccc(F)cc2Cl)ccc1OCC1CCOCC1 Homo sapiens CHEMBL4324752 cell-based format
CHEMBL4462109 OBDepict O NH Cl S O O O H 2 N N N H 3 C IC50 = 185.0 nM 420.88 Cn1cc(Oc2ccc(NC(=O)Cc3ccccc3Cl)cc2S(N)(=O)=O)cn1 Homo sapiens CHEMBL4324752 cell-based format
CHEMBL2180137 OBDepict O N O O IC50 = 189.0 nM 317.34 O=C(OCc1ccccc1)N1c2ccccc2Oc2ccccc21 Homo sapiens CHEMBL3106505 cell-based format
CHEMBL4541425 OBDepict O N H Cl S O O O NH 2 N IC50 = 193.0 nM 417.87 NS(=O)(=O)c1cc(NC(=O)Cc2ccccc2Cl)ccc1Oc1cccnc1 Homo sapiens CHEMBL4324752 cell-based format
CHEMBL2338696 OBDepict Cl HO N H O F F F F F F IC50 = 209.0 nM 383.68 O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(Cl)cc1O Homo sapiens CHEMBL4615161 cell-based format
CHEMBL4521594 OBDepict O N H S O O O NH 2 Cl IC50 = 211.0 nM 416.89 NS(=O)(=O)c1cc(NC(=O)Cc2ccccc2)ccc1Oc1cccc(Cl)c1 Homo sapiens CHEMBL4324752 cell-based format
CHEMBL4577125 OBDepict O NH Cl S O O O H 2 N HO H 3 C CH 3 IC50 = 242.0 nM 474.97 CC(C)(O)c1ccccc1Oc1ccc(NC(=O)Cc2ccccc2Cl)cc1S(N)(=O)=O Homo sapiens CHEMBL4324752 cell-based format
CHEMBL4450002 OBDepict O N H Cl S O O O NH 2 O O IC50 = 258.0 nM 440.91 NS(=O)(=O)c1cc(NC(=O)Cc2ccccc2Cl)ccc1OCC1COCCO1 Homo sapiens CHEMBL4324752 cell-based format
CHEMBL4462656 OBDepict O HN O N N _ N O S + Na IC50 = 260.0 nM 424.42 O=C1CC(=O)N(c2cccc(-c3noc(=S)[n-]3)c2)c2ccc3ccccc3c2N1.[Na+] Homo sapiens CHEMBL4324811 cell-based format
CHEMBL4450779 OBDepict O N H S F O O O NH 2 Cl IC50 = 269.0 nM 434.88 NS(=O)(=O)c1cc(NC(=O)Cc2ccc(F)cc2)ccc1Oc1cccc(Cl)c1 Homo sapiens CHEMBL4324752 cell-based format
CHEMBL4451276 OBDepict O NH S CH 3 O O O H 2 N Cl IC50 = 317.0 nM 430.91 Cc1ccc(CC(=O)Nc2ccc(Oc3cccc(Cl)c3)c(S(N)(=O)=O)c2)cc1 Homo sapiens CHEMBL4324752 cell-based format
CHEMBL4444721 OBDepict O N H S Cl O O O NH 2 Cl IC50 = 345.0 nM 451.33 NS(=O)(=O)c1cc(NC(=O)Cc2ccc(Cl)cc2)ccc1Oc1cccc(Cl)c1 Homo sapiens CHEMBL4324752 cell-based format
CHEMBL2180179 OBDepict Br N O NH O IC50 = 350.0 nM 355.19 O=C1CN=C(c2cccc(Br)c2)c2oc3ccccc3c2N1 Homo sapiens CHEMBL4153218 cell-based format
CHEMBL4539332 OBDepict O N H Cl S O O O NH 2 HO H 3 C CH 3 IC50 = 376.0 nM 474.97 CC(C)(O)c1ccc(Oc2ccc(NC(=O)Cc3ccccc3Cl)cc2S(N)(=O)=O)cc1 Homo sapiens CHEMBL4324752 cell-based format
CHEMBL2180160 OBDepict CH 3 S N O O O IC50 = 420.0 nM 337.4 Cc1ccc(S(=O)(=O)N2c3ccccc3Oc3ccccc32)cc1 Homo sapiens CHEMBL4415955 cell-based format
CHEMBL4464823 OBDepict O NH O N N H O I IC50 = 430.0 nM 561.38 O=C(Cc1ccccc1I)Nc1ccc(N2C(=O)CC(=O)Nc3c2ccc2ccccc32)cc1 Homo sapiens CHEMBL4324811 cell-based format
CHEMBL4533763 OBDepict O N H Cl S O O O NH 2 N IC50 = 441.0 nM 417.87 NS(=O)(=O)c1cc(NC(=O)Cc2ccccc2Cl)ccc1Oc1ccccn1 Homo sapiens CHEMBL4324752 cell-based format
CHEMBL4455317 OBDepict O NH Cl S O O O H 2 N OH H 3 C H 3 C IC50 = 474.0 nM 474.97 CC(C)(O)c1cccc(Oc2ccc(NC(=O)Cc3ccccc3Cl)cc2S(N)(=O)=O)c1 Homo sapiens CHEMBL4324752 cell-based format
CHEMBL589733 OBDepict Cl HO N H O F F F IC50 = 537.0 nM 315.68 O=C(Nc1cccc(C(F)(F)F)c1)c1cc(Cl)ccc1O Homo sapiens CHEMBL4615161 cell-based format
CHEMBL4458990 OBDepict O N H F S O O O NH 2 O IC50 = 597.0 nM 422.48 NS(=O)(=O)c1cc(NC(=O)Cc2ccccc2F)ccc1OCC1CCOCC1 Homo sapiens CHEMBL4324752 cell-based format
CHEMBL2179173 OBDepict Cl Cl N H O HO Cl IC50 = 712.0 nM 316.57 O=C(Nc1cc(Cl)cc(Cl)c1)c1cc(Cl)ccc1O Homo sapiens CHEMBL4615161 cell-based format
CHEMBL2338686 OBDepict O N H OH F F F F F F IC50 = 729.0 nM 399.29 O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc2ccccc2c1O Homo sapiens CHEMBL4615161 cell-based format
CHEMBL1532400 OBDepict O N H NH Br Br N CH 3 CH 3 IC50 = 780.0 nM 413.11 CC(C)c1cc(Br)c(NC(=O)Nc2cccnc2)c(Br)c1 Homo sapiens CHEMBL4324809 cell-based format
CHEMBL4456686 OBDepict O N H Cl S O O O NH 2 O IC50 = 784.0 nM 410.88 NS(=O)(=O)c1cc(NC(=O)Cc2ccccc2Cl)ccc1OCC1CCO1 Homo sapiens CHEMBL4324752 cell-based format