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Q15391 | P2Y14_HUMAN | P2Y purinoceptor 14 (P2RY14)

3D structures mapped by conservation among orthologs



[ Alpha Fold Model ] (go)


Known binders annotated in ChEMBL

IC50 table

molecule_chembl_id structure assay_type relation values units mol_wt smiles organism assay_chembl_id bao_label
CHEMBL1800685 OBDepict OH O F F F HN IC50 = 7.96 nM 475.51 O=C(O)c1cc(-c2ccc(C3CCNCC3)cc2)c2ccc(-c3ccc(C(F)(F)F)cc3)cc2c1 Homo sapiens CHEMBL4189951 cell-based format
CHEMBL4864408 OBDepict OH O N O OH F F F IC50 = 15.0 nM 489.45 O=C(O)c1cc(-c2ccc(-c3cc(CO)on3)cc2)c2ccc(-c3ccc(C(F)(F)F)cc3)cc2c1 Homo sapiens CHEMBL4808686 cell-based format
CHEMBL4644135 OBDepict OH O F F F HN IC50 = 18.0 nM 473.49 O=C(O)c1cc(-c2ccc(C3=CCNCC3)cc2)c2ccc(-c3ccc(C(F)(F)F)cc3)cc2c1 Homo sapiens CHEMBL4622293 cell-based format
CHEMBL4645216 OBDepict OH O F F F N IC50 = 20.0 nM 501.55 O=C(O)c1cc(-c2ccc(C34CCN(CC3)CC4)cc2)c2ccc(-c3ccc(C(F)(F)F)cc3)cc2c1 Homo sapiens CHEMBL4622293 cell-based format
CHEMBL4642592 OBDepict HO O F F F N O CH 3 IC50 = 27.6 nM 517.55 CC(=O)N1CCC(c2ccc(-c3cc(C(=O)O)cc4cc(-c5ccc(C(F)(F)F)cc5)ccc34)cc2)CC1 Homo sapiens CHEMBL4619169 cell-based format
CHEMBL4454538 OBDepict HO O N N N HN F F F IC50 = 31.7 nM 492.5 O=C(O)c1cc(-c2ccc(C3CCNCC3)cc2)cc(-n2cc(-c3ccc(C(F)(F)F)cc3)nn2)c1 Homo sapiens CHEMBL4426523 cell-based format
CHEMBL4848380 OBDepict O N O OH F F F IC50 = 36.6 nM 503.52 O=CN1CCC(c2ccc(-c3cc(C(=O)O)cc4cc(-c5ccc(C(F)(F)F)cc5)ccc34)cc2)CC1 Homo sapiens CHEMBL4808686 cell-based format
CHEMBL4640370 OBDepict HO O F F F + N CH 3 IC50 = 38.3 nM 516.58 C[N+]12CCC(c3ccc(-c4cc(C(=O)O)cc5cc(-c6ccc(C(F)(F)F)cc6)ccc45)cc3)(CC1)CC2 Homo sapiens CHEMBL4622293 cell-based format
CHEMBL4649855 OBDepict H 3 C N O O HO F F F IC50 = 41.8 nM 531.57 CCC(=O)N1CCC(c2ccc(-c3cc(C(=O)O)cc4cc(-c5ccc(C(F)(F)F)cc5)ccc34)cc2)CC1 Homo sapiens CHEMBL4619169 cell-based format
CHEMBL4441075 OBDepict CH 3 N N N O OH HN IC50 = 72.4 nM 466.59 CCCc1ccc(-c2cn(-c3cc(C(=O)O)cc(-c4ccc(C5CCNCC5)cc4)c3)nn2)cc1 Homo sapiens CHEMBL4426523 cell-based format
CHEMBL4472517 OBDepict Br S N N N O OH HN IC50 = 91.0 nM 509.43 O=C(O)c1cc(-c2ccc(C3CCNCC3)cc2)cc(-n2cc(-c3ccc(Br)s3)nn2)c1 Homo sapiens CHEMBL4426523 cell-based format
CHEMBL4646514 OBDepict HO O N N N N F F F IC50 = 105.0 nM 518.54 O=C(O)c1cc(-c2ccc(C34CCN(CC3)CC4)cc2)cc(-n2cc(-c3ccc(C(F)(F)F)cc3)nn2)c1 Homo sapiens CHEMBL4622293 cell-based format
CHEMBL4465763 OBDepict Br N N N O HO NH IC50 = 115.0 nM 503.4 O=C(O)c1cc(-c2ccc(C3CCNCC3)cc2)cc(-n2cc(-c3ccc(Br)cc3)nn2)c1 Homo sapiens CHEMBL4426523 cell-based format
CHEMBL4647290 OBDepict CH 3 N O OH F F F IC50 = 131.0 nM 559.67 CCCCCCN1CCC(c2ccc(-c3cc(C(=O)O)cc4cc(-c5ccc(C(F)(F)F)cc5)ccc34)cc2)CC1 Homo sapiens CHEMBL4622293 cell-based format
CHEMBL4458050 OBDepict HO O N N N O HN F F F IC50 = 131.0 nM 508.5 O=C(O)c1cc(-c2ccc(C3CCNCC3)cc2)cc(-n2cc(-c3ccc(OC(F)(F)F)cc3)nn2)c1 Homo sapiens CHEMBL4426523 cell-based format
CHEMBL4645854 OBDepict CH 3 N O OH F F F IC50 = 133.0 nM 517.59 CCCN1CCC(c2ccc(-c3cc(C(=O)O)cc4cc(-c5ccc(C(F)(F)F)cc5)ccc34)cc2)CC1 Homo sapiens CHEMBL4622293 cell-based format
CHEMBL4638909 OBDepict HC N O HO F F F IC50 = 139.0 nM 513.56 C#CCN1CCC(c2ccc(-c3cc(C(=O)O)cc4cc(-c5ccc(C(F)(F)F)cc5)ccc34)cc2)CC1 Homo sapiens CHEMBL4622293 cell-based format
CHEMBL4587611 OBDepict H 3 C O N N N O HO NH IC50 = 162.0 nM 510.64 CCCCCOc1ccc(-c2cn(-c3cc(C(=O)O)cc(-c4ccc(C5CCNCC5)cc4)c3)nn2)cc1 Homo sapiens CHEMBL4426523 cell-based format
CHEMBL4212721 OBDepict H 2 N N H O S N O OH N N F F F IC50 = 169.0 nM 515.52 NCCCNC(=O)c1ccc(-c2cc(C(=O)O)cc(-n3cc(-c4ccc(C(F)(F)F)cc4)nn3)c2)s1 Homo sapiens CHEMBL4189951 cell-based format
CHEMBL4649700 OBDepict CH 3 N O OH F F F IC50 = 195.0 nM 489.54 CN1CCC(c2ccc(-c3cc(C(=O)O)cc4cc(-c5ccc(C(F)(F)F)cc5)ccc34)cc2)CC1 Homo sapiens CHEMBL4622293 cell-based format
CHEMBL4872692 OBDepict O N H HN N O HO N N F F F IC50 = 197.0 nM 535.53 O=C(O)c1cc(-c2ccc(NC(=O)C3CCNCC3)cc2)cc(-n2cc(-c3ccc(C(F)(F)F)cc3)nn2)c1 Homo sapiens CHEMBL4808686 cell-based format
CHEMBL4462380 OBDepict OH O N N N HN CH 3 H 3 C CH 3 IC50 = 224.0 nM 480.61 CC(C)(C)c1ccc(-c2cn(-c3cc(C(=O)O)cc(-c4ccc(C5CCNCC5)cc4)c3)nn2)cc1 Homo sapiens CHEMBL4426523 cell-based format
CHEMBL4568641 OBDepict HO O N N N F HN F IC50 = 228.0 nM 460.48 O=C(O)c1cc(-c2ccc(C3CCNCC3)cc2)cc(-n2cc(-c3ccc(F)c(F)c3)nn2)c1 Homo sapiens CHEMBL4426523 cell-based format
CHEMBL4645987 OBDepict HO O N N N N HN F F F IC50 = 233.0 nM 493.49 O=C(O)c1cc(-c2ccc(N3CCNCC3)cc2)cc(-n2cc(-c3ccc(C(F)(F)F)cc3)nn2)c1 Homo sapiens CHEMBL4622293 cell-based format
CHEMBL4443391 OBDepict CH 3 N N N O OH HN IC50 = 237.0 nM 438.53 Cc1ccc(-c2cn(-c3cc(C(=O)O)cc(-c4ccc(C5CCNCC5)cc4)c3)nn2)cc1 Homo sapiens CHEMBL4426523 cell-based format
CHEMBL4871298 OBDepict HO O F F F N O F F F IC50 = 240.0 nM 571.52 O=C(O)c1cc(-c2ccc(C3CCN(C(=O)C(F)(F)F)CC3)cc2)c2ccc(-c3ccc(C(F)(F)F)cc3)cc2c1 Homo sapiens CHEMBL4808686 cell-based format
CHEMBL4211068 OBDepict HO O N N N O H 2 N F F F CH 3 N H 3 C H 3 C IC50 = 269.0 nM 553.59 CCN(CC)CC.NC(=O)c1ccc(-c2cc(C(=O)O)cc(-n3cc(-c4ccc(C(F)(F)F)cc4)nn3)c2)cc1 Homo sapiens CHEMBL4189951 cell-based format
CHEMBL4554777 OBDepict Cl N N N O HO NH IC50 = 290.0 nM 458.95 O=C(O)c1cc(-c2ccc(C3CCNCC3)cc2)cc(-n2cc(-c3ccc(Cl)cc3)nn2)c1 Homo sapiens CHEMBL4426523 cell-based format
CHEMBL4868306 OBDepict NH 2 N O OH N N F F F IC50 = 292.0 nM 466.46 NCCCc1ccc(-c2cc(C(=O)O)cc(-n3cc(-c4ccc(C(F)(F)F)cc4)nn3)c2)cc1 Homo sapiens CHEMBL4808686 cell-based format
CHEMBL4853466 OBDepict HO O N N O HO N N F F F IC50 = 296.0 nM 506.44 O=C(O)c1cc(-c2ccc(-c3cc(CO)on3)cc2)cc(-n2cc(-c3ccc(C(F)(F)F)cc3)nn2)c1 Homo sapiens CHEMBL4808686 cell-based format
CHEMBL4866107 OBDepict NH 2 N O OH N N F F F IC50 = 308.0 nM 462.43 NCC#Cc1ccc(-c2cc(C(=O)O)cc(-n3cc(-c4ccc(C(F)(F)F)cc4)nn3)c2)cc1 Homo sapiens CHEMBL4808686 cell-based format
CHEMBL4637158 OBDepict HO O N N N HN F F F IC50 = 359.0 nM 504.51 O=C(O)c1cc(-c2ccc(C34CCNCC3C4)cc2)cc(-n2cc(-c3ccc(C(F)(F)F)cc3)nn2)c1 Homo sapiens CHEMBL4622293 cell-based format
CHEMBL3606064 OBDepict F N O N H O H O H OH H H HO O P O OH P O HO HO IC50 = 362.0 nM 420.18 O=c1[nH]c(=O)n([C@@H]2O[C@H](COP(=O)(O)CP(=O)(O)O)[C@@H](O)[C@H]2O)cc1F Homo sapiens CHEMBL4392271 cell-based format
CHEMBL4847409 OBDepict HO O N N O HO N N F F F IC50 = 389.0 nM 520.47 O=C(O)c1cc(-c2ccc(-c3cc(CCO)on3)cc2)cc(-n2cc(-c3ccc(C(F)(F)F)cc3)nn2)c1 Homo sapiens CHEMBL4808686 cell-based format
CHEMBL4558911 OBDepict OH O N N N HN CH 3 CH 3 IC50 = 481.0 nM 466.59 CC(C)c1ccc(-c2cn(-c3cc(C(=O)O)cc(-c4ccc(C5CCNCC5)cc4)c3)nn2)cc1 Homo sapiens CHEMBL4426523 cell-based format
CHEMBL4211172 OBDepict _ O O N N N N O NH 2 F F F + Na IC50 = 516.0 nM 475.36 NC(=O)c1ccc(-c2cc(C(=O)[O-])cc(-n3cc(-c4ccc(C(F)(F)F)cc4)nn3)c2)nc1.[Na+] Homo sapiens CHEMBL4189951 cell-based format
CHEMBL4204183 OBDepict CH 3 N H O N N O _ O N F F F + Na IC50 = 563.0 nM 488.4 CNC(=O)c1ccc(-c2cc(C(=O)[O-])cc(-n3cc(-c4ccc(C(F)(F)F)cc4)nn3)c2)cc1.[Na+] Homo sapiens CHEMBL4189951 cell-based format
CHEMBL4213423 OBDepict _ O O N N N N N O NH 2 F F F + Na IC50 = 566.0 nM 476.35 NC(=O)c1cnc(-c2cc(C(=O)[O-])cc(-n3cc(-c4ccc(C(F)(F)F)cc4)nn3)c2)cn1.[Na+] Homo sapiens CHEMBL4189951 cell-based format
CHEMBL4869802 OBDepict NH 2 N H O N O OH N N F F F IC50 = 588.0 nM 509.49 NCCCNC(=O)c1ccc(-c2cc(C(=O)O)cc(-n3cc(-c4ccc(C(F)(F)F)cc4)nn3)c2)cc1 Homo sapiens CHEMBL4808686 cell-based format
CHEMBL4214536 OBDepict OH O N N N S O O NH 2 F F F CH 3 N H 3 C H 3 C IC50 = 608.0 nM 589.64 CCN(CC)CC.NS(=O)(=O)c1ccc(-c2cc(C(=O)O)cc(-n3cc(-c4ccc(C(F)(F)F)cc4)nn3)c2)cc1 Homo sapiens CHEMBL4189951 cell-based format
CHEMBL4872737 OBDepict OH O N N N O OH F F F IC50 = 632.0 nM 453.38 O=C(O)c1ccc(-c2cc(C(=O)O)cc(-n3cc(-c4ccc(C(F)(F)F)cc4)nn3)c2)cc1 Homo sapiens CHEMBL4808686 cell-based format
CHEMBL4647874 OBDepict HO O N N N F F HN F F F IC50 = 639.0 nM 540.49 O=C(O)c1cc(-c2ccc(C34CCNCC3C4(F)F)cc2)cc(-n2cc(-c3ccc(C(F)(F)F)cc3)nn2)c1 Homo sapiens CHEMBL4622293 cell-based format
CHEMBL4633982 OBDepict OH O N N N NH F F F IC50 = 664.0 nM 492.5 O=C(O)c1cc(-c2ccc(C3CCNCC3)cc2)cc(-c2cn(-c3ccc(C(F)(F)F)cc3)nn2)c1 Homo sapiens CHEMBL4619169 cell-based format
CHEMBL4207098 OBDepict H 2 N N H O S N O OH N N F F F IC50 = 735.0 nM 515.52 NCCCNC(=O)c1csc(-c2cc(C(=O)O)cc(-n3cc(-c4ccc(C(F)(F)F)cc4)nn3)c2)c1 Homo sapiens CHEMBL4189951 cell-based format
CHEMBL4211995 OBDepict H 2 N N H S O O S N O HO N N F F F IC50 = 756.0 nM 551.57 NCCCNS(=O)(=O)c1ccc(-c2cc(C(=O)O)cc(-n3cc(-c4ccc(C(F)(F)F)cc4)nn3)c2)s1 Homo sapiens CHEMBL4189951 cell-based format
CHEMBL4212441 OBDepict CH N O OH F F F IC50 = 763.0 nM 555.64 C#CCCCCN1CCC(c2ccc(-c3cc(C(=O)O)cc4cc(-c5ccc(C(F)(F)F)cc5)ccc34)cc2)CC1 Homo sapiens CHEMBL4189951 cell-based format
CHEMBL4853085 OBDepict CH 3 N H O N N O OH N F F F IC50 = 811.0 nM 466.42 CC(=O)Nc1ccc(-c2cc(C(=O)O)cc(-n3cc(-c4ccc(C(F)(F)F)cc4)nn3)c2)cc1 Homo sapiens CHEMBL4808686 cell-based format
CHEMBL4877701 OBDepict HO O N N N N N N H N F F F IC50 = 895.0 nM 477.41 O=C(O)c1cc(-c2ccc(-c3nnn[nH]3)cc2)cc(-n2cc(-c3ccc(C(F)(F)F)cc3)nn2)c1 Homo sapiens CHEMBL4808686 cell-based format
CHEMBL4212481 OBDepict CH 3 N H O N O _ O N N F F F + Na IC50 = 899.0 nM 502.43 CCNC(=O)c1ccc(-c2cc(C(=O)[O-])cc(-n3cc(-c4ccc(C(F)(F)F)cc4)nn3)c2)cc1.[Na+] Homo sapiens CHEMBL4189951 cell-based format
CHEMBL4206519 OBDepict H N N N N N N N NH F F F IC50 = 958.0 nM 516.53 FC(F)(F)c1ccc(-c2cn(-c3cc(-c4ccc(C5CCNCC5)cc4)cc(-c4nnn[nH]4)c3)nn2)cc1 Homo sapiens CHEMBL4189951 cell-based format