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P29274 | AA2AR_HUMAN | Adenosine receptor A2a (ADORA2A)

3D structures mapped by conservation among orthologs

[ Domain: "Family A G protein-coupled receptor-like" // 7tm_1_3 ]

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[ 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
CHEMBL4756283 OBDepict CH 3 N S S N N NH HN O NH 2 Ki = 0.0038 nM 284.37 CCCn1c(=S)sc2c(=N)n(NC(N)=O)cnc21 Homo sapiens CHEMBL4682728 cell membrane format
CHEMBL2419149 OBDepict N S N N S Br Ki = 0.0042 nM 400.33 N#Cc1sc(=S)n(-c2ccccc2)c1/N=C/c1ccc(Br)cc1 Homo sapiens CHEMBL2422901 cell-based format
CHEMBL2419144 OBDepict N S N N S F Ki = 0.0047 nM 339.42 N#Cc1sc(=S)n(-c2ccccc2)c1/N=C/c1ccc(F)cc1 Homo sapiens CHEMBL2422901 cell-based format
CHEMBL1093479 OBDepict I N S S N N N N O Ki = 0.0082 nM 477.31 S=c1sc2c(ncn3nc(-c4ccco4)nc23)n1-c1cccc(I)c1 Homo sapiens CHEMBL1105450 cell-based format
CHEMBL2419139 OBDepict CH 3 N S S N N Br Ki = 0.01 nM 352.28 CCn1c(/N=C/c2ccc(Br)cc2)c(C#N)sc1=S Homo sapiens CHEMBL2422901 cell-based format
CHEMBL1092271 OBDepict H 2 C N S S N N N N O Ki = 0.016 nM 315.38 C=CCn1c(=S)sc2c1ncn1nc(-c3ccco3)nc21 Homo sapiens CHEMBL1105450 cell-based format
CHEMBL2419146 OBDepict H 3 C N S S N N F Ki = 0.027 nM 319.43 CCCCn1c(/N=C/c2ccc(F)cc2)c(C#N)sc1=S Homo sapiens CHEMBL2422901 cell-based format
CHEMBL336608 OBDepict CH 3 NH O H O H OH H N H OH N N N H N HN N N H Ki = 0.03 nM 597.68 CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NCC(c4ccccc4)c4ccccc4)nc(NCCc4c[nH]cn4)nc32)[C@H](O)[C@@H]1O Homo sapiens CHEMBL640526 single protein format
CHEMBL2419147 OBDepict CH 3 N S S N N F Ki = 0.03 nM 305.4 CCCn1c(/N=C/c2ccc(F)cc2)c(C#N)sc1=S Homo sapiens CHEMBL2422901 cell-based format
CHEMBL1090578 OBDepict Cl N S S N N N N O Ki = 0.038 nM 385.86 S=c1sc2c(ncn3nc(-c4ccco4)nc23)n1-c1cccc(Cl)c1 Homo sapiens CHEMBL1105450 cell-based format
CHEMBL3121727 OBDepict H N N N O N CH 3 CH 3 O O N N Ki = 0.042 nM 380.41 Cn1c(=O)c2[nH]c(-c3ccc(OCCCn4ccnc4)cc3)nc2n(C)c1=O Homo sapiens CHEMBL3123575 cell-based format
CHEMBL3121725 OBDepict Cl O N N H N CH 3 O N O H 3 C Ki = 0.045 nM 348.79 Cn1c(=O)c2[nH]c(-c3ccc(OCCCCl)cc3)nc2n(C)c1=O Homo sapiens CHEMBL3123575 cell-based format
CHEMBL136689 OBDepict CH 3 O N N N H 2 N N N N O Ki = 0.048 nM 389.42 COc1ccc(CCCn2ncc3c2nc(N)n2nc(-c4ccco4)nc32)cc1 Homo sapiens CHEMBL642227 cell-based format
CHEMBL2419150 OBDepict N S N N S Br Ki = 0.067 nM 428.38 N#Cc1sc(=S)n(CCc2ccccc2)c1/N=C/c1ccc(Br)cc1 Homo sapiens CHEMBL2422901 cell-based format
CHEMBL3121726 OBDepict H N N N O N H 3 C CH 3 O O Ki = 0.072 nM 340.38 Cn1c(=O)c2[nH]c(-c3ccc(OC4CCCC4)cc3)nc2n(C)c1=O Homo sapiens CHEMBL3123575 cell-based format
CHEMBL4747929 OBDepict CH 3 O N N N H O NH 2 N O Cl Cl Ki = 0.078 nM 394.22 COc1nc(-c2ncco2)nc(N)c1C(=O)NCc1c(Cl)cccc1Cl Homo sapiens CHEMBL4701002 cell-based format
CHEMBL245848 OBDepict CH 3 O N N N N N H 2 N N N N O Ki = 0.1 nM 459.51 COc1ccc(N2CCN(CCn3cnc4c3nc(N)n3nc(-c5ccco5)nc43)CC2)cc1 Homo sapiens CHEMBL967913 single protein format
CHEMBL130830 OBDepict H 3 C HN O H O H HO H N H HO N N N HN NH 2 H H HO Ki = 0.1 nM 407.43 CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(N[C@@H]4CCC[C@H]4O)nc32)[C@H](O)[C@@H]1O Homo sapiens CHEMBL640526 single protein format
CHEMBL4778265 OBDepict O N H NH 2 N O N N CH 3 O HO CH 3 H Ki = 0.11 nM 383.41 Cc1cccnc1CNC(=O)c1c(N)nc(-c2ccco2)nc1OC[C@H](C)O Homo sapiens CHEMBL4701002 cell-based format
CHEMBL1092270 OBDepict CH 3 N S S N N N N O Ki = 0.12 nM 331.43 CCCCn1c(=S)sc2c1ncn1nc(-c3ccco3)nc21 Homo sapiens CHEMBL1105450 cell-based format
CHEMBL22202 OBDepict OH N OH N N N NH 2 N N N O Ki = 0.12 nM 448.49 Nc1nc2c(cnn2CCc2ccc(N(CCO)CCO)cc2)c2nc(-c3ccco3)nn12 Homo sapiens CHEMBL647487 cell-based format
CHEMBL3121728 OBDepict Cl N N O N N H N CH 3 O N O CH 3 Ki = 0.12 nM 523.04 Cn1c(=O)c2[nH]c(-c3ccc(OCCCN4CCN(Cc5ccccc5Cl)CC4)cc3)nc2n(C)c1=O Homo sapiens CHEMBL3123575 cell-based format
CHEMBL22320 OBDepict NH 2 N N N H 2 N N N N O Ki = 0.13 nM 388.44 NCc1ccc(CCCn2ncc3c2nc(N)n2nc(-c4ccco4)nc32)cc1 Homo sapiens CHEMBL647487 cell-based format
CHEMBL2419140 OBDepict N S N N S Cl Ki = 0.14 nM 355.88 N#Cc1sc(=S)n(-c2ccccc2)c1/N=C/c1ccc(Cl)cc1 Homo sapiens CHEMBL2422901 cell-based format
CHEMBL1090577 OBDepict Cl N S S N N N N O Ki = 0.152 nM 385.86 S=c1sc2c(ncn3nc(-c4ccco4)nc23)n1-c1ccc(Cl)cc1 Homo sapiens CHEMBL1105450 cell-based format
CHEMBL131457 OBDepict H 3 C N H O H O H HO H N H OH N N N NH N H H H OH Ki = 0.16 nM 587.68 CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NCC(c4ccccc4)c4ccccc4)nc(N[C@@H]4CCC[C@H]4O)nc32)[C@H](O)[C@@H]1O Homo sapiens CHEMBL640526 single protein format
CHEMBL4457393 OBDepict CH 3 O CH 3 CH 3 N N NH 2 N O N Ki = 0.17 nM 361.41 COc1c(C)cc(-c2cn3c(=O)n(-c4ccccc4)nc3c(N)n2)cc1C Homo sapiens CHEMBL4322427 cell-based format
CHEMBL423542 OBDepict H 2 N N N N N N N O Ki = 0.18 nM 359.39 Nc1nc2nn(CCCc3ccccc3)cc2c2nc(-c3ccco3)nn12 Homo sapiens CHEMBL644670 cell-based format
CHEMBL2112948 OBDepict OH N H 2 N N N N NH 2 N N N O Ki = 0.18 nM 403.41 N/C(=NO)c1ccc(CCn2ncc3c2nc(N)n2nc(-c4ccco4)nc32)cc1 Homo sapiens CHEMBL647487 cell-based format
CHEMBL282888 OBDepict OH O O OH N N N H 2 N N N N O Ki = 0.19 nM 463.45 Nc1nc2c(cnn2CCCc2ccc3c(c2)OC(CO)(CO)O3)c2nc(-c3ccco3)nn12 Homo sapiens CHEMBL647488 cell-based format
CHEMBL487569 OBDepict CH 3 O O CH 3 N NH N N N O CH 3 CH 3 H 3 C Ki = 0.2 nM 367.41 COc1cc(OC)cc(-c2cc(NC(C)=O)nc(-n3nc(C)cc3C)n2)c1 Homo sapiens CHEMBL939476 cell-based format
CHEMBL429125 OBDepict CH 3 O O N H 3 C CH 3 N H O N N N O N H 3 C CH 3 H 3 C Ki = 0.2 nM 490.56 COc1cc(CN(C)C)ccc1OCC(=O)Nc1cc(-n2nc(C)cc2C)nc(-c2ccc(C)o2)n1 Homo sapiens CHEMBL928986 cell-based format
CHEMBL3973920 OBDepict CH 3 O N H 2 N N HN O N O F Ki = 0.2 nM 433.44 COc1cccc2c(C(=O)NCc3cccc(COc4ccccc4F)n3)nc(N)nc12 Homo sapiens CHEMBL3865239 cell-based format
CHEMBL3765379 OBDepict NH 2 N N HN O O F F F N Ki = 0.2 nM 413.36 Nc1nc(C(=O)NCc2cccc3cccnc23)c2cccc(OC(F)(F)F)c2n1 Homo sapiens CHEMBL3767375 cell-based format
CHEMBL3960148 OBDepict CH 3 O N H 2 N N NH O N Ki = 0.2 nM 363.42 COc1cccc2c(C(=O)NCc3cccc(C4CCC4)n3)nc(N)nc12 Homo sapiens CHEMBL3865239 cell-based format
CHEMBL255739 OBDepict O N H N N N O N CH 3 N CH 3 H 3 C CH 3 H 3 C Ki = 0.2 nM 444.54 Cc1cc(C)n(-c2cc(NC(=O)Cc3ccc(CN(C)C)cc3)nc(-c3ccc(C)o3)n2)n1 Homo sapiens CHEMBL930529 cell-based format
CHEMBL3923709 OBDepict CH 3 O N NH 2 N NH O N CH 3 H 3 C Ki = 0.2 nM 351.41 COc1cccc2c(C(=O)NCc3cccc(C(C)C)n3)nc(N)nc12 Homo sapiens CHEMBL3865239 cell-based format
CHEMBL3121724 OBDepict H N N N O N H 3 C CH 3 O O N Ki = 0.2 nM 369.43 Cn1c(=O)c2[nH]c(-c3ccc(OCCN4CCCC4)cc3)nc2n(C)c1=O Homo sapiens CHEMBL3123575 cell-based format
CHEMBL373700 OBDepict F O H N H N N N NH 2 N N N O Ki = 0.2 nM 464.51 Nc1nc(N2CCN3C[C@@H](COc4cccc(F)c4)CC[C@H]3C2)nc2nc(-c3ccco3)nn12 Homo sapiens CHEMBL967913 single protein format
CHEMBL4212821 OBDepict H 3 C N O N N N N N N H 2 N O N O O Ki = 0.2 nM 545.6 Cn1c(=O)n(CCN2CCN(c3ccc(OC4CCOC4)cc3)CC2)c2nc(N)n3nc(-c4ccco4)nc3c21 Homo sapiens CHEMBL4193729 cell-based format
CHEMBL3765580 OBDepict CH 3 O N NH 2 N N H O N Ki = 0.2 nM 359.39 COc1cccc2c(C(=O)NCc3cccc4cccnc34)nc(N)nc12 Homo sapiens CHEMBL3767375 cell-based format
CHEMBL281805 OBDepict NH 2 N N N H 2 N N N N O Ki = 0.22 nM 374.41 Nc1ccc(CCCn2ncc3c2nc(N)n2nc(-c4ccco4)nc32)cc1 Homo sapiens CHEMBL644655 cell-based format
CHEMBL4162638 OBDepict NH 2 N N N H N S O N Ki = 0.24 nM 338.4 Nc1nc(NCCc2cccnc2)nc2sc(-c3ccco3)nc12 Homo sapiens CHEMBL4156072 cell-based format
CHEMBL4159215 OBDepict NH 2 N N N H N S O S Ki = 0.25 nM 329.41 Nc1nc(NCc2ccsc2)nc2sc(-c3ccco3)nc12 Homo sapiens CHEMBL4156072 cell-based format
CHEMBL3121721 OBDepict H 3 C N H 3 C O N N H N CH 3 O N O CH 3 Ki = 0.25 nM 371.44 CCN(CC)CCOc1ccc(-c2nc3c([nH]2)c(=O)n(C)c(=O)n3C)cc1 Homo sapiens CHEMBL3123575 cell-based format
CHEMBL485765 OBDepict CH 3 HN O N N N N N CH 3 N CH 3 Ki = 0.26 nM 377.45 CC(=O)Nc1cc(-c2cccc(N3CCCC3)n2)nc(-n2nc(C)cc2C)n1 Homo sapiens CHEMBL952340 cell-based format
CHEMBL3121722 OBDepict H N N N O N H 3 C CH 3 O O HN Ki = 0.29 nM 383.45 Cn1c(=O)c2[nH]c(-c3ccc(OCCC4CCNCC4)cc3)nc2n(C)c1=O Homo sapiens CHEMBL3123575 cell-based format
CHEMBL480542 OBDepict F F N N N CH 3 N NH 2 N N N O N Ki = 0.3 nM 455.47 CN(CCN1CCN(c2ccc(F)cc2F)CC1)c1cc2nc(-c3cnco3)nn2c(N)n1 Homo sapiens CHEMBL1024667 cell-based format
CHEMBL256124 OBDepict CH 3 N H 3 C O N H O N N N O N H 3 C CH 3 H 3 C Ki = 0.3 nM 474.57 CCN(C)Cc1cccc(OCC(=O)Nc2cc(-n3nc(C)cc3C)nc(-c3ccc(C)o3)n2)c1 Homo sapiens CHEMBL928986 cell-based format
CHEMBL404863 OBDepict O HN O N N N O N H 3 C H 3 C CH 3 N CH 3 CH 3 Ki = 0.3 nM 460.54 Cc1cc(C)n(-c2cc(NC(=O)COc3ccc(CN(C)C)cc3)nc(-c3ccc(C)o3)n2)n1 Homo sapiens CHEMBL928986 cell-based format
CHEMBL253317 OBDepict H 3 C O O N H 3 C CH 3 N H O N N N O N CH 3 H 3 C CH 3 Ki = 0.3 nM 490.56 COc1cc(OCC(=O)Nc2cc(-n3nc(C)cc3C)nc(-c3ccc(C)o3)n2)ccc1CN(C)C Homo sapiens CHEMBL928986 cell-based format
CHEMBL4205884 OBDepict CH 3 N O N N N N N N NH 2 O N O Ki = 0.3 nM 515.58 Cn1c(=O)n(CCN2CCN(c3ccc(OC4CC4)cc3)CC2)c2nc(N)n3nc(-c4ccco4)nc3c21 Homo sapiens CHEMBL4193729 cell-based format
CHEMBL3763717 OBDepict F N N NH 2 N H O N Ki = 0.3 nM 347.35 Nc1nc(C(=O)NCc2cccc3cccnc23)c2ccc(F)cc2n1 Homo sapiens CHEMBL3767375 cell-based format
CHEMBL256123 OBDepict CH 3 NH O N H O N N N O N CH 3 H 3 C CH 3 Ki = 0.3 nM 460.54 CCNCc1cccc(OCC(=O)Nc2cc(-n3nc(C)cc3C)nc(-c3ccc(C)o3)n2)c1 Homo sapiens CHEMBL928986 cell-based format
CHEMBL480570 OBDepict F F N N N CH 3 N H 2 N N N N N CH 3 N Ki = 0.3 nM 480.53 Cc1nccnc1-c1nc2cc(N(C)CCN3CCN(c4ccc(F)cc4F)CC3)nc(N)n2n1 Homo sapiens CHEMBL1024667 cell-based format
CHEMBL470942 OBDepict F F N N N N H 2 N N N N O Ki = 0.3 nM 494.55 Nc1nc(N(CCN2CCN(c3ccc(F)cc3F)CC2)CC2CC2)cc2nc(-c3ccco3)nn12 Homo sapiens CHEMBL1024667 cell-based format
CHEMBL4207914 OBDepict CH 3 N O N N N N N N NH 2 O N O O Ki = 0.3 nM 559.63 Cn1c(=O)n(CCN2CCN(c3ccc(OC4CCOCC4)cc3)CC2)c2nc(N)n3nc(-c4ccco4)nc3c21 Homo sapiens CHEMBL4193729 cell-based format
CHEMBL3121723 OBDepict H N N N O N H 3 C CH 3 O O N O Ki = 0.31 nM 385.42 Cn1c(=O)c2[nH]c(-c3ccc(OCCN4CCOCC4)cc3)nc2n(C)c1=O Homo sapiens CHEMBL3123575 cell-based format
CHEMBL16867 OBDepict H 2 N N N N N N N O Ki = 0.31 nM 345.37 Nc1nc2nn(CCc3ccccc3)cc2c2nc(-c3ccco3)nn12 Homo sapiens CHEMBL643209 cell-based format
CHEMBL184061 OBDepict F F N N NH N N H 2 N N N N O Ki = 0.33 nM 441.45 Nc1nc(NCCN2CCN(c3ccc(F)cc3F)CC2)nc2nc(-c3ccco3)nn12 Homo sapiens CHEMBL4426297 cell-based format
CHEMBL1093270 OBDepict H 3 C N S S N N N N O Ki = 0.38 nM 317.4 CCCn1c(=S)sc2c1ncn1nc(-c3ccco3)nc21 Homo sapiens CHEMBL1105450 cell-based format
CHEMBL401895 OBDepict O NH O N N N O N CH 3 N CH 3 H 3 C CH 3 H 3 C Ki = 0.4 nM 460.54 Cc1cc(C)n(-c2cc(NC(=O)COc3cccc(CN(C)C)c3)nc(-c3ccc(C)o3)n2)n1 Homo sapiens CHEMBL928986 cell-based format
CHEMBL3906827 OBDepict CH 3 O N NH 2 N NH O N F F F Ki = 0.4 nM 377.33 COc1cccc2c(C(=O)NCc3cccc(C(F)(F)F)n3)nc(N)nc12 Homo sapiens CHEMBL3865239 cell-based format
CHEMBL3932655 OBDepict CH 3 O N NH 2 N NH O N OH H 3 C H 3 C Ki = 0.4 nM 367.41 COc1cccc2c(C(=O)NCc3cccc(C(C)(C)O)n3)nc(N)nc12 Homo sapiens CHEMBL3865239 cell-based format
CHEMBL4203542 OBDepict CH 3 O N F N N N O N N H 3 C H 2 N N N N O Ki = 0.4 nM 532.54 Cc1nc2cc(N3CCN(CCn4c(=O)n(C)c5c4nc(N)n4nc(-c6ccco6)nc54)CC3)c(F)cc2o1 Homo sapiens CHEMBL4193729 cell-based format
CHEMBL393410 OBDepict CH 3 O O F N N N N N H 2 N N N N O Ki = 0.4 nM 521.56 COCCOc1ccc(N2CCN(CCn3ncc4c3nc(N)n3nc(-c5ccco5)nc43)CC2)c(F)c1 Homo sapiens CHEMBL903278 single protein format
CHEMBL4209408 OBDepict CH 3 O O CH 3 N N N O N N H 3 C H 2 N N N N O Ki = 0.4 nM 547.62 COCC(C)Oc1ccc(N2CCN(CCn3c(=O)n(C)c4c3nc(N)n3nc(-c5ccco5)nc43)CC2)cc1 Homo sapiens CHEMBL4193729 cell-based format
CHEMBL4217582 OBDepict CH 3 O F N N N O N N H 3 C H 2 N N N N O Ki = 0.4 nM 507.53 COc1ccc(N2CCN(CCn3c(=O)n(C)c4c3nc(N)n3nc(-c5ccco5)nc43)CC2)c(F)c1 Homo sapiens CHEMBL4193729 cell-based format
CHEMBL3121720 OBDepict H 3 C N CH 3 O N N H N CH 3 O N O CH 3 Ki = 0.4 nM 343.39 CN(C)CCOc1ccc(-c2nc3c([nH]2)c(=O)n(C)c(=O)n3C)cc1 Homo sapiens CHEMBL3123575 cell-based format
CHEMBL4167813 OBDepict NH 2 N N N H N S O N Ki = 0.42 nM 324.37 Nc1nc(NCc2ccccn2)nc2sc(-c3ccco3)nc12 Homo sapiens CHEMBL4156072 cell-based format
CHEMBL572411 OBDepict CH 3 O O O N N N NH 2 N N N O Ki = 0.43 nM 461.48 CCOC(=O)COc1ccc(CCCn2ncc3c2nc(N)n2nc(-c4ccco4)nc32)cc1 Homo sapiens CHEMBL1037717 cell-based format
CHEMBL22200 OBDepict CH 3 O O O N N N NH 2 N N N O Ki = 0.43 nM 447.46 CCOC(=O)COc1ccc(CCn2ncc3c2nc(N)n2nc(-c4ccco4)nc32)cc1 Homo sapiens CHEMBL647487 cell-based format
CHEMBL487553 OBDepict CH 3 O N N N N H N N N O H 3 C CH 3 H 3 C Ki = 0.44 nM 421.51 COC1CCN(c2cccc(-c3cc(NC(C)=O)nc(-n4nc(C)cc4C)n3)n2)CC1 Homo sapiens CHEMBL952340 cell-based format
CHEMBL487554 OBDepict H 3 C O N N N NH N N N O H 3 C H 3 C CH 3 Ki = 0.47 nM 393.45 COC1CN(c2cccc(-c3cc(NC(C)=O)nc(-n4nc(C)cc4C)n3)n2)C1 Homo sapiens CHEMBL952340 cell-based format
CHEMBL1950649 OBDepict H 3 C HN O H O H HO H N H HO N N N NH 2 H H O O CH 3 Ki = 0.5 nM 486.53 CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(C#CC[C@H]4CC[C@H](C(=O)OC)CC4)nc32)[C@H](O)[C@@H]1O Homo sapiens CHEMBL1955226 single protein format
CHEMBL403846 OBDepict CH 3 N CH 3 O N H O N N N O N CH 3 CH 3 H 3 C Ki = 0.5 nM 474.57 Cc1cc(C)n(-c2cc(NC(=O)COc3cccc(CCN(C)C)c3)nc(-c3ccc(C)o3)n2)n1 Homo sapiens CHEMBL928986 cell-based format
CHEMBL256332 OBDepict O NH O N N N O N F CH 3 N CH 3 H 3 C Ki = 0.5 nM 504.57 Cc1cc(C)n(-c2cc(NC(=O)COc3cc(F)cc(CN4CCCC4)c3)nc(-c3ccc(C)o3)n2)n1 Homo sapiens CHEMBL928986 cell-based format
CHEMBL4207104 OBDepict N F N N N O N N H 3 C H 2 N N N N O Ki = 0.5 nM 502.51 Cn1c(=O)n(CCN2CCN(c3ccc(C#N)c(F)c3)CC2)c2nc(N)n3nc(-c4ccco4)nc3c21 Homo sapiens CHEMBL4193729 cell-based format
CHEMBL256331 OBDepict O HN O N N N O N F H 3 C N H 3 C CH 3 CH 3 CH 3 Ki = 0.5 nM 478.53 Cc1cc(C)n(-c2cc(NC(=O)COc3cc(F)cc(CN(C)C)c3)nc(-c3ccc(C)o3)n2)n1 Homo sapiens CHEMBL928986 cell-based format
CHEMBL469026 OBDepict O N O CH 3 H 3 C CH 3 N N NH 2 N N N O Ki = 0.5 nM 461.53 CC(C)(C)OC(=O)N1CCN(c2cccc(-c3cc4nc(-c5ccco5)nn4c(N)n3)c2)CC1 Homo sapiens CHEMBL967913 single protein format
CHEMBL4204531 OBDepict CH 3 O O CH 3 CH 3 N N N O N N H 3 C H 2 N N N N O Ki = 0.5 nM 561.65 COCC(C)(C)Oc1ccc(N2CCN(CCn3c(=O)n(C)c4c3nc(N)n3nc(-c5ccco5)nc43)CC2)cc1 Homo sapiens CHEMBL4193729 cell-based format
CHEMBL240213 OBDepict Cl N N N N N H 2 N N N N O Ki = 0.5 nM 463.93 Nc1nc2c(cnn2CCN2CCN(c3ccc(Cl)cc3)CC2)c2nc(-c3ccco3)nn12 Homo sapiens CHEMBL903278 single protein format
CHEMBL3902955 OBDepict CH 3 O N NH 2 N NH O N O Ki = 0.5 nM 407.47 COc1cccc2c(C(=O)NCc3cccc(COC4CCCC4)n3)nc(N)nc12 Homo sapiens CHEMBL3865239 cell-based format
CHEMBL3941632 OBDepict CH 3 O N NH 2 N NH O N H 3 C Ki = 0.5 nM 323.36 COc1cccc2c(C(=O)NCc3cccc(C)n3)nc(N)nc12 Homo sapiens CHEMBL3865239 cell-based format
CHEMBL3764083 OBDepict NH 2 N N NH O F N Ki = 0.5 nM 347.35 Nc1nc(C(=O)NCc2cccc3cccnc23)c2cccc(F)c2n1 Homo sapiens CHEMBL3767375 cell-based format
CHEMBL514939 OBDepict CH 3 O N N N H 2 N N N N N O F F Ki = 0.5 nM 498.54 COCCN(CCN1CCN(c2ccc(F)cc2F)CC1)c1cc2nc(-c3ccco3)nn2c(N)n1 Homo sapiens CHEMBL1024667 cell-based format
CHEMBL4210241 OBDepict CH 3 O O N N N O N N H 3 C H 2 N N N N O Ki = 0.5 nM 533.59 COCCOc1cccc(N2CCN(CCn3c(=O)n(C)c4c3nc(N)n3nc(-c5ccco5)nc43)CC2)c1 Homo sapiens CHEMBL4193729 cell-based format
CHEMBL521356 OBDepict CH 3 HN O N N N N N H 3 C N CH 3 Ki = 0.56 nM 391.48 CC(=O)Nc1cc(-c2cccc(N3CCCCC3)n2)nc(-n2nc(C)cc2C)n1 Homo sapiens CHEMBL952340 cell-based format
CHEMBL3291301 OBDepict H 3 C N N NH 2 N N Br CH Ki = 0.56 nM 360.26 C#CCn1c(Br)nc2c(N)nc(C#CCCCCCC)nc21 Homo sapiens CHEMBL3295796 cell-based format
CHEMBL1093203 OBDepict I N S S N N N N O Ki = 0.57 nM 477.31 S=c1sc2c(ncn3nc(-c4ccco4)nc23)n1-c1ccc(I)cc1 Homo sapiens CHEMBL1105450 cell-based format
CHEMBL4442908 OBDepict H 2 N NH O N N NH 2 N O N Ki = 0.59 nM 389.42 NCCC(=O)Nc1ccc(-c2cn3c(=O)n(-c4ccccc4)nc3c(N)n2)cc1 Homo sapiens CHEMBL4322427 cell-based format
CHEMBL278805 OBDepict Cl N S O O N N N H 2 N N N N O Cl Ki = 0.59 nM 549.44 Nc1nc2c(cnn2CCc2ccc(S(=O)(=O)N(CCCl)CCCl)cc2)c2nc(-c3ccco3)nn12 Homo sapiens CHEMBL647487 cell-based format
CHEMBL241109 OBDepict F F N N N N N NH 2 N N N O Ki = 0.6 nM 465.47 Nc1nc2c(cnn2CCN2CCN(c3ccc(F)cc3F)CC2)c2nc(-c3ccco3)nn12 Homo sapiens CHEMBL903278 single protein format
CHEMBL400215 OBDepict F N N N N N H 2 N N N N O Ki = 0.6 nM 447.48 Nc1nc2c(cnn2CCN2CCN(c3ccccc3F)CC2)c2nc(-c3ccco3)nn12 Homo sapiens CHEMBL903278 single protein format
CHEMBL17127 OBDepict NH 2 N N N N N N O Ki = 0.6 nM 345.37 Nc1nc2c(cnn2CCc2ccccc2)c2nc(-c3ccco3)nn12 Homo sapiens CHEMBL644656 single protein format
CHEMBL240625 OBDepict OH O N N N N N H 2 N N N N O Ki = 0.6 nM 489.54 Nc1nc2c(cnn2CCN2CCN(c3ccc(OCCO)cc3)CC2)c2nc(-c3ccco3)nn12 Homo sapiens CHEMBL903278 single protein format
CHEMBL4216716 OBDepict CH 3 O O F F N N N O N N H 3 C H 2 N N N N O Ki = 0.6 nM 569.57 COCCOc1c(F)cc(N2CCN(CCn3c(=O)n(C)c4c3nc(N)n3nc(-c5ccco5)nc43)CC2)cc1F Homo sapiens CHEMBL4193729 cell-based format
CHEMBL401242 OBDepict F F F N N N N N NH 2 N N N O Ki = 0.6 nM 483.46 Nc1nc2c(cnn2CCN2CCN(c3ccc(F)c(F)c3F)CC2)c2nc(-c3ccco3)nn12 Homo sapiens CHEMBL903278 single protein format
CHEMBL190 OBDepict H 3 C N O N O CH 3 N N H Ki = 0.6 nM 180.17 Cn1c(=O)c2nc[nH]c2n(C)c1=O Homo sapiens CHEMBL839651 cell-based format
CHEMBL3951425 OBDepict CH 3 O N H 2 N N HN O N CH 3 OH H 3 C H 3 C Ki = 0.6 nM 381.44 COc1cccc2c(C(=O)NCc3nc(C(C)(C)O)ccc3C)nc(N)nc12 Homo sapiens CHEMBL3865239 cell-based format