HOME LIGAND hPROTEOME OTHERS DOCUMENT

O43614 | OX2R_HUMAN | Orexin receptor type 2 (HCRTR2)

3D structures mapped by conservation among orthologs

[ Domain: "Family A G protein-coupled receptor-like" // 7tm_1_1 ]

download pymol session



[ 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
CHEMBL3099899 OBDepict CH 3 O O H 3 C N H O N N Cl Cl Ki = 0.07 nM 494.38 COc1ccc(CNC(=O)c2cc(-c3cc(Cl)cc(Cl)c3)cnc2-c2cccnc2)cc1OC Homo sapiens CHEMBL3101095 single protein format
CHEMBL272715 OBDepict O NH H N O N S N N CH 3 CH 3 Ki = 0.09 nM 473.6 Cc1ccc2c(c1)nc(SCC(=O)N1CCC[C@H]1C(=O)Nc1ccccc1-n1cccc1)n2C Homo sapiens CHEMBL932891 cell-based format
CHEMBL255763 OBDepict O NH H N O N S N N H 3 C CH 3 Ki = 0.1 nM 473.6 Cc1ccc2nc(SCC(=O)N3CCC[C@H]3C(=O)Nc3ccccc3-n3cccc3)n(C)c2c1 Homo sapiens CHEMBL932891 cell-based format
CHEMBL3770503 OBDepict CH 3 N N O N N H H 3 C H O H 3 C F Ki = 0.1 nM 422.5 Cc1ccc(-n2nccn2)c(C(=O)N2C[C@H](COc3ccc(F)c(C)c3)CC[C@H]2C)c1 Homo sapiens CHEMBL3772018 single protein format
CHEMBL1083358 OBDepict F N N N N H H 3 C O N N N Ki = 0.17 nM 431.48 C[C@@H]1CCN(c2ncc3cc(F)ccc3n2)CCN1C(=O)c1ccccc1-n1nccn1 Homo sapiens CHEMBL1119824 cell-based format
CHEMBL3235249 OBDepict F N O H N H H 3 C O N CH 3 N N Ki = 0.2 nM 409.47 Cc1ccc(-n2nccn2)c(C(=O)N2C[C@H](COc3ccc(F)cn3)CC[C@H]2C)c1 Homo sapiens CHEMBL3240640 cell-based format
CHEMBL3426135 OBDepict O N H CH 3 N H O N N N F F F Ki = 0.2 nM 431.42 C[C@@H]1CC[C@@H](Oc2cc(C(F)(F)F)ccn2)CN1C(=O)c1ccccc1-n1nccn1 Homo sapiens CHEMBL3429483 cell-based format
CHEMBL1089406 OBDepict F N N N N O N H 3 C N N Ki = 0.2 nM 431.48 Cc1ccc(-n2nccn2)c(C(=O)N2CCCN(c3ncc4cc(F)ccc4n3)CC2)c1 Homo sapiens CHEMBL1109766 single protein format
CHEMBL4070855 OBDepict H 3 C N N O N N H H 3 C H O N F Ki = 0.2 nM 409.47 Cc1ccc(-n2nccn2)c(C(=O)N2CCC[C@@H](COc3ccc(F)cn3)[C@@H]2C)c1 Homo sapiens CHEMBL4035418 cell-based format
CHEMBL3426145 OBDepict CH 3 S N O H N H CH 3 O N N N Ki = 0.2 nM 409.52 CSc1ccnc(O[C@@H]2CC[C@@H](C)N(C(=O)c3ccccc3-n3nccn3)C2)c1 Homo sapiens CHEMBL3429483 cell-based format
CHEMBL429848 OBDepict H 3 C N S N N O H NH O Ki = 0.2 nM 470.6 Cn1c(SCC(=O)N2CCC[C@H]2C(=O)Nc2ccccc2-c2ccccc2)nc2ccccc21 Homo sapiens CHEMBL932891 cell-based format
CHEMBL401653 OBDepict O NH H N O N S N N H CH 3 Ki = 0.2 nM 459.58 Cc1ccc2[nH]c(SCC(=O)N3CCC[C@H]3C(=O)Nc3ccccc3-n3cccc3)nc2c1 Homo sapiens CHEMBL932891 cell-based format
CHEMBL3260828 OBDepict H 3 C N N O N N H CH 3 N N N S H 3 C Ki = 0.2 nM 447.57 Cc1ccc(-n2nccn2)c(C(=O)N2CCN(c3ncc4c(C)csc4n3)CC[C@H]2C)c1 Homo sapiens CHEMBL3267682 cell-based format
CHEMBL3394847 OBDepict CH 3 O N O H N H CH 3 O N N N Ki = 0.24 nM 443.51 COc1cnc(O[C@@H]2CC[C@@H](C)N(C(=O)c3ccccc3-n3nccn3)C2)c2ccccc12 Homo sapiens CHEMBL3395398 single protein format
CHEMBL1083041 OBDepict O N H CH 3 N N N N N N F F Ki = 0.25 nM 449.46 C[C@@H]1CCN(c2cnc3cc(F)c(F)cc3n2)CCN1C(=O)c1ccccc1-n1nccn1 Homo sapiens CHEMBL1119824 cell-based format
CHEMBL1083657 OBDepict O N H CH 3 N N N N N N Ki = 0.28 nM 417.52 C[C@@H]1CCN(c2ncc3c(n2)CCCC3)CCN1C(=O)c1ccccc1-n1nccn1 Homo sapiens CHEMBL1119824 cell-based format
CHEMBL3394829 OBDepict O N H CH 3 N H O N N N Ki = 0.3 nM 413.48 C[C@@H]1CC[C@@H](Oc2nccc3ccccc23)CN1C(=O)c1ccccc1-n1nccn1 Homo sapiens CHEMBL3395398 single protein format
CHEMBL3338852 OBDepict CH 3 O O N CH 3 N H O N H 3 C Ki = 0.3 nM 439.52 COc1ccc(CNC(=O)c2cc(-c3cncc(C)c3)ccc2-c2ccccc2)nc1OC Homo sapiens CHEMBL3387579 cell-based format
CHEMBL3260835 OBDepict H 3 C N N O N N H CH 3 N N N NH 2 S H 3 C Ki = 0.3 nM 462.58 Cc1ccc(-n2nccn2)c(C(=O)N2CCN(c3nc(N)c4c(C)csc4n3)CC[C@H]2C)c1 Homo sapiens CHEMBL3267682 cell-based format
CHEMBL429130 OBDepict CH 3 N S N N O H HN O N Ki = 0.3 nM 459.58 Cn1c(SCC(=O)N2CCC[C@H]2C(=O)Nc2ccccc2-n2cccc2)nc2ccccc21 Homo sapiens CHEMBL932891 cell-based format
CHEMBL2107822 OBDepict CH 3 N O N N H H 3 C H O N F Ki = 0.3 nM 420.49 Cc1ccc(-c2ncccn2)c(C(=O)N2C[C@H](COc3ccc(F)cn3)CC[C@H]2C)c1 Homo sapiens CHEMBL2416556 single protein format
CHEMBL3338846 OBDepict CH 3 O N O CH 3 N H O N N CH 3 Ki = 0.3 nM 440.5 COc1ccc(CNC(=O)c2cc(-c3cncc(C)c3)cnc2-c2ccccc2)nc1OC Homo sapiens CHEMBL3387579 cell-based format
CHEMBL1083659 OBDepict CH 3 N N O N N H H 3 C N O N Cl Ki = 0.35 nM 450.93 Cc1ccc(-n2nccn2)c(C(=O)N2CCN(c3nc4cc(Cl)ccc4o3)CC[C@H]2C)c1 Homo sapiens CHEMBL1119824 cell-based format
CHEMBL1083357 OBDepict H 3 C N N O N N H CH 3 N N N Ki = 0.36 nM 427.51 Cc1ccc(-n2nccn2)c(C(=O)N2CCN(c3ncc4ccccc4n3)CC[C@H]2C)c1 Homo sapiens CHEMBL1119824 cell-based format
CHEMBL1171594 OBDepict H 3 C N N O N N N N N F Ki = 0.4 nM 457.51 Cc1ccc(-n2nccn2)c(C(=O)N2C3CCC2CN(c2ncc4ccc(F)cc4n2)CC3)c1 Homo sapiens CHEMBL1175135 single protein format
CHEMBL3260833 OBDepict H 3 C N N O N N H CH 3 N N N NH 2 S H 3 C Ki = 0.4 nM 462.58 Cc1ccc(-n2nccn2)c(C(=O)N2CCN(c3nc(N)c4cc(C)sc4n3)CC[C@H]2C)c1 Homo sapiens CHEMBL3267682 cell-based format
CHEMBL3426143 OBDepict I N O H N H H 3 C O N N N Ki = 0.4 nM 489.32 C[C@@H]1CC[C@@H](Oc2cc(I)ccn2)CN1C(=O)c1ccccc1-n1nccn1 Homo sapiens CHEMBL3429483 cell-based format
CHEMBL4086531 OBDepict N H 3 C N O H N H CH 3 O N N N Ki = 0.4 nM 402.46 Cc1c(C#N)ccnc1O[C@@H]1CC[C@@H](C)N(C(=O)c2ccccc2-n2nccn2)C1 Homo sapiens CHEMBL3999717 cell-based format
CHEMBL1272307 OBDepict F S N CH 3 N O H N H O O Ki = 0.4 nM 477.56 Cc1nc(C(=O)N2CCCC[C@H]2CNC(=O)c2cccc3occc23)c(-c2ccc(F)cc2)s1 Homo sapiens CHEMBL2416556 single protein format
CHEMBL4062167 OBDepict H 3 C O O N N H H N H H 3 C O N N N Ki = 0.4 nM 420.47 COC(=O)c1cccnc1N[C@@H]1CC[C@@H](C)N(C(=O)c2ccccc2-n2nccn2)C1 Homo sapiens CHEMBL3999717 cell-based format
CHEMBL1084949 OBDepict O N H H 3 C N N N N N N Ki = 0.47 nM 413.49 C[C@@H]1CCN(c2ncc3ccccc3n2)CCN1C(=O)c1ccccc1-n1nccn1 Homo sapiens CHEMBL1119824 cell-based format
CHEMBL4091661 OBDepict CH 3 O O N O N H N H CH 3 O N N N Ki = 0.5 nM 446.47 COC(=O)c1c(C#N)ccnc1O[C@@H]1CC[C@@H](C)N(C(=O)c2ccccc2-n2nccn2)C1 Homo sapiens CHEMBL3999717 cell-based format
CHEMBL3338848 OBDepict CH 3 O N O CH 3 N H O N N CH 3 Ki = 0.5 nM 440.5 COc1ccc(CNC(=O)c2cc(-c3cncc(C)c3)ncc2-c2ccccc2)nc1OC Homo sapiens CHEMBL3387579 cell-based format
CHEMBL3338866 OBDepict CH 3 O N O CH 3 N H O N N N Cl Ki = 0.5 nM 461.91 COc1ccc(CNC(=O)c2cc(-c3cncc(Cl)c3)cnc2-c2ccccn2)nc1OC Homo sapiens CHEMBL3588151 cell-based format
CHEMBL3260827 OBDepict H 3 C N N O N N H CH 3 N N N O H 3 C H 3 C Ki = 0.5 nM 445.53 Cc1ccc(-n2nccn2)c(C(=O)N2CCN(c3ncc4c(C)c(C)oc4n3)CC[C@H]2C)c1 Homo sapiens CHEMBL3267682 cell-based format
CHEMBL3235265 OBDepict OH H N H H 3 C O N CH 3 N N Ki = 0.53 nM 414.51 Cc1ccc(-n2nccn2)c(C(=O)N2C[C@H](C#Cc3cccc(CO)c3)CC[C@H]2C)c1 Homo sapiens CHEMBL3240640 cell-based format
CHEMBL3694264 OBDepict H 3 C N N O N N H CH 3 H NH N Ki = 0.56 nM 426.52 Cc1ccc(-n2nccn2)c(C(=O)N2C[C@H](Nc3nccc4ccccc34)CC[C@H]2C)c1 Homo sapiens CHEMBL3707987 cell-based format
CHEMBL3260826 OBDepict H 3 C N N O N N H CH 3 N N N O H 3 C Ki = 0.6 nM 431.5 Cc1ccc(-n2nccn2)c(C(=O)N2CCN(c3ncc4c(C)coc4n3)CC[C@H]2C)c1 Homo sapiens CHEMBL3267682 cell-based format
CHEMBL3394842 OBDepict O N H CH 3 N H O N N N F Ki = 0.6 nM 431.47 C[C@@H]1CC[C@@H](Oc2ccnc3c(F)cccc23)CN1C(=O)c1ccccc1-n1nccn1 Homo sapiens CHEMBL3395398 single protein format
CHEMBL3099898 OBDepict CH 3 O O CH 3 N H O N N F Cl Ki = 0.6 nM 477.92 COc1ccc(CNC(=O)c2cc(-c3cc(F)cc(Cl)c3)cnc2-c2cccnc2)cc1OC Homo sapiens CHEMBL3101095 single protein format
CHEMBL3426136 OBDepict CH N O H N H CH 3 O N N N Ki = 0.6 nM 387.44 C#Cc1ccnc(O[C@@H]2CC[C@@H](C)N(C(=O)c3ccccc3-n3nccn3)C2)c1 Homo sapiens CHEMBL3429483 cell-based format
CHEMBL4079757 OBDepict N H 3 C N O H N H H 3 C O N NH O CH 3 Ki = 0.6 nM 469.55 CC(=O)Nc1ccc(-c2ccccc2)c(C(=O)N2C[C@H](Oc3nccc(C#N)c3C)CC[C@H]2C)n1 Homo sapiens CHEMBL3999717 cell-based format
CHEMBL1172520 OBDepict F N N N H H N O N Cl N N Ki = 0.6 nM 463.9 O=C(c1cc(Cl)ccc1-n1nccn1)N1C[C@@H]2C[C@H](C1)N(c1ncc3cc(F)ccc3n1)C2 Homo sapiens CHEMBL1175135 single protein format
CHEMBL469146 OBDepict H 3 C N N O N N N N N Ki = 0.6 nM 413.49 Cc1ccc(-n2nccn2)c(C(=O)N2CCCN(c3ncc4ccccc4n3)CC2)c1 Homo sapiens CHEMBL973408 single protein format
CHEMBL3426134 OBDepict CH 3 N O H N H CH 3 O N N N Ki = 0.6 nM 391.48 CCc1ccnc(O[C@@H]2CC[C@@H](C)N(C(=O)c3ccccc3-n3nccn3)C2)c1 Homo sapiens CHEMBL3429483 cell-based format
CHEMBL1093725 OBDepict F N N N N O N Cl N N Ki = 0.6 nM 463.9 O=C(c1cc(Cl)ccc1-n1nccn1)N1CC2CC(C1)N(c1ncc3cc(F)ccc3n1)C2 Homo sapiens CHEMBL1109766 single protein format
CHEMBL256789 OBDepict H N S N N O H HN O Ki = 0.6 nM 456.57 O=C(Nc1ccccc1-c1ccccc1)[C@@H]1CCCN1C(=O)CSc1nc2ccccc2[nH]1 Homo sapiens CHEMBL932891 cell-based format
CHEMBL3622328 OBDepict H 3 C N N O N N H CH 3 N N N Cl F F F Ki = 0.7 nM 479.89 Cc1ccc(-n2nccn2)c(C(=O)N2CCN(c3ncc(C(F)(F)F)c(Cl)n3)CC[C@H]2C)c1 Homo sapiens CHEMBL3625144 cell-based format
CHEMBL4097192 OBDepict N CH 3 N O H N H H 3 C O Ki = 0.7 nM 375.47 Cc1c(C#N)ccnc1O[C@@H]1CC[C@@H](C)N(C(=O)c2ccccc2C2CC2)C1 Homo sapiens CHEMBL3999717 cell-based format
CHEMBL4094742 OBDepict H 3 C O N O H H 3 C H O N H 3 C N Ki = 0.7 nM 379.46 CCOc1ccccc1C(=O)N1C[C@H](Oc2nccc(C#N)c2C)CC[C@H]1C Homo sapiens CHEMBL3999717 cell-based format
CHEMBL3260831 OBDepict H 3 C N N O N N H CH 3 N N N NH 2 S Ki = 0.7 nM 448.56 Cc1ccc(-n2nccn2)c(C(=O)N2CCN(c3nc(N)c4ccsc4n3)CC[C@H]2C)c1 Homo sapiens CHEMBL3267682 cell-based format
CHEMBL4080670 OBDepict N H 3 C N O H N H H 3 C O N NH O CH 3 Ki = 0.7 nM 469.55 CC(=O)Nc1cc(C(=O)N2C[C@H](Oc3nccc(C#N)c3C)CC[C@H]2C)c(-c2ccccc2)cn1 Homo sapiens CHEMBL3999717 cell-based format
CHEMBL3099893 OBDepict CH 3 O O H 3 C N H O N N CH 3 H 3 C Ki = 0.7 nM 453.54 COc1ccc(CNC(=O)c2cc(-c3cc(C)cc(C)c3)cnc2-c2cccnc2)cc1OC Homo sapiens CHEMBL3101095 single protein format
CHEMBL3394845 OBDepict O N H CH 3 H O N N F Ki = 0.8 nM 441.51 C[C@@H]1CC[C@@H](Oc2ccnc3c(F)cccc23)CN1C(=O)c1ccccc1-c1ccccn1 Homo sapiens CHEMBL3395398 single protein format
CHEMBL1170803 OBDepict CH 3 N N O N N N N N F Ki = 0.8 nM 457.51 Cc1ccc(-n2nccn2)c(C(=O)N2CCC3CCC(C2)N3c2ncc3ccc(F)cc3n2)c1 Homo sapiens CHEMBL1175135 single protein format
CHEMBL3099894 OBDepict CH 3 O O CH 3 N H O N N CH 3 F Ki = 0.8 nM 457.51 COc1ccc(CNC(=O)c2cc(-c3cc(C)cc(F)c3)cnc2-c2cccnc2)cc1OC Homo sapiens CHEMBL3101095 single protein format
CHEMBL4089492 OBDepict N H 3 C N O H N H H 3 C O O F F F Ki = 0.8 nM 419.4 Cc1c(C#N)ccnc1O[C@@H]1CC[C@@H](C)N(C(=O)c2ccccc2OC(F)(F)F)C1 Homo sapiens CHEMBL3999717 cell-based format
CHEMBL4096735 OBDepict H 3 C O O N S H N H H 3 C O N N N Ki = 0.8 nM 437.53 COC(=O)c1cccnc1S[C@@H]1CC[C@@H](C)N(C(=O)c2ccccc2-n2nccn2)C1 Homo sapiens CHEMBL3999717 cell-based format
CHEMBL445161 OBDepict H 3 C N N N O H NH O Ki = 0.8 nM 452.56 Cn1c(CCC(=O)N2CCC[C@H]2C(=O)Nc2ccccc2-c2ccccc2)nc2ccccc21 Homo sapiens CHEMBL932891 cell-based format
CHEMBL3338856 OBDepict CH 3 O N O CH 3 N H O N N F CH 3 Ki = 0.9 nM 458.49 COc1ccc(CNC(=O)c2cc(-c3cncc(C)c3)ncc2-c2cccc(F)c2)nc1OC Homo sapiens CHEMBL3387579 cell-based format
CHEMBL4096258 OBDepict N N N H H N H H 3 C O N N N Ki = 0.9 nM 387.45 C[C@@H]1CC[C@@H](Nc2cc(C#N)ccn2)CN1C(=O)c1ccccc1-n1nccn1 Homo sapiens CHEMBL3999717 cell-based format
CHEMBL3394840 OBDepict CH 3 N O O N N N N Cl Ki = 0.9 nM 447.93 CC1CCC(Oc2ccnc3c(Cl)cccc23)CN1C(=O)c1ccccc1-n1nccn1 Homo sapiens CHEMBL3395398 single protein format
CHEMBL3426146 OBDepict O N H H 3 C N H O N N N S O O H 3 C Ki = 0.9 nM 441.51 C[C@@H]1CC[C@@H](Oc2cc(S(C)(=O)=O)ccn2)CN1C(=O)c1ccccc1-n1nccn1 Homo sapiens CHEMBL3429483 cell-based format
CHEMBL3690071 OBDepict CH 3 O O CH 3 N H O N N N O CH 3 Cl Ki = 0.96 nM 482.97 COc1ccc(CNC(=O)c2cc(-c3cc(C)cc(Cl)c3)nnc2N2CCOCC2)cc1OC Homo sapiens CHEMBL3705218 cell-based format
CHEMBL3946821 OBDepict F N N O N O N CH 3 N N IC50 = 1.0 nM 446.49 Cc1ccc(-n2nccn2)c(C(=O)N2CCCOC2Cn2cc(-c3ccc(F)cc3)cn2)c1 Homo sapiens CHEMBL3888032 assay format
CHEMBL3944494 OBDepict CH 3 N O N N O N N F IC50 = 1.0 nM 457.51 Cc1ccc(-c2ncccn2)c(C(=O)N2CCCOC2Cn2ccc(-c3ccc(F)cc3)n2)c1 Homo sapiens CHEMBL3888032 assay format
CHEMBL403259 OBDepict H N S N N O H HN O N Ki = 1.0 nM 445.55 O=C(Nc1ccccc1-n1cccc1)[C@@H]1CCCN1C(=O)CSc1nc2ccccc2[nH]1 Homo sapiens CHEMBL932891 cell-based format
CHEMBL2435411 OBDepict O N N N H N N Ki = 1.0 nM 425.54 O=C1CCCC2(CCN(c3cnc4ccccc4n3)CC2)N1Cc1cccc2[nH]ccc12 Homo sapiens CHEMBL3707782 single protein format
CHEMBL3394828 OBDepict H 3 C N N O N N H CH 3 H O Ki = 1.0 nM 426.52 Cc1ccc(-n2nccn2)c(C(=O)N2C[C@H](Oc3cccc4ccccc34)CC[C@H]2C)c1 Homo sapiens CHEMBL3395398 single protein format
CHEMBL3597953 OBDepict F O H N O N S CH 3 Ki = 1.0 nM 424.54 Cc1nc(C(=O)N2CCCC[C@H]2CCOc2ccc(F)cc2)c(-c2ccccc2)s1 Homo sapiens CHEMBL3598895 single protein format
CHEMBL2425788 OBDepict H 3 C O N O H 3 C N H N H O N F Ki = 1.0 nM 422.46 COCc1nc(C)ncc1OC[C@@]1(c2ccccc2)C[C@H]1C(=O)Nc1ccc(F)cn1 Homo sapiens CHEMBL2428737 cell-based format
CHEMBL3642148 OBDepict N N O H N H H 3 C O F N N Ki = 1.0 nM 417.44 C[C@@H]1CC[C@@H](Oc2cc(C#N)ccn2)CN1C(=O)c1cc(F)ccc1-c1ncccn1 Homo sapiens CHEMBL3705236 single protein format
CHEMBL2425785 OBDepict H 3 C O N O H 3 C N H N H O F N F Ki = 1.0 nM 440.45 COCc1nc(C)ncc1OC[C@@]1(c2cccc(F)c2)C[C@H]1C(=O)Nc1ccc(F)cn1 Homo sapiens CHEMBL2428737 cell-based format
CHEMBL3642142 OBDepict N N O H N H CH 3 O N N N Cl Ki = 1.1 nM 422.88 C[C@@H]1CC[C@@H](Oc2cc(C#N)ccn2)CN1C(=O)c1ccc(Cl)cc1-n1nccn1 Homo sapiens CHEMBL3705236 single protein format
CHEMBL3235253 OBDepict F N H N H H 3 C O N CH 3 N N Ki = 1.1 nM 403.46 Cc1ccc(-n2nccn2)c(C(=O)N2C[C@H](C#Cc3ccc(F)cn3)CC[C@H]2C)c1 Homo sapiens CHEMBL3240640 cell-based format
CHEMBL3338865 OBDepict CH 3 O N O CH 3 N H O N N S N H 3 C Ki = 1.1 nM 447.52 COc1ccc(CNC(=O)c2cc(-c3cncc(C)c3)ncc2-c2nccs2)nc1OC Homo sapiens CHEMBL3387579 cell-based format
CHEMBL3394844 OBDepict O N H H 3 C H O N N H N N F Ki = 1.1 nM 431.47 C[C@@H]1CC[C@@H](Oc2ccnc3c(F)cccc23)CN1C(=O)c1ccccc1-c1cnn[nH]1 Homo sapiens CHEMBL3395398 single protein format
CHEMBL2385132 OBDepict CH 3 O N N S O O CH 3 N O CH 3 N Ki = 1.1 nM 454.55 CCN(Cc1cccnc1)C(=O)CN(c1ccc(OC)nc1)S(=O)(=O)c1ccccc1C Homo sapiens CHEMBL2390635 single protein format
CHEMBL2385134 OBDepict H 3 C N O N S N O O CH 3 N O H H H Ki = 1.1 nM 453.55 CCN(Cc1cccnc1)C(=O)CN(c1ccc(O[11CH3])nc1)S(=O)(=O)c1ccccc1C Homo sapiens CHEMBL2416556 single protein format
CHEMBL2385133 OBDepict H 3 C N O N S N O O CH 3 N T O T T T Ki = 1.1 nM 462.58 [3H]c1ccc(CN(CC)C(=O)CN(c2ccc(OC([3H])([3H])[3H])nc2)S(=O)(=O)c2ccccc2C)cn1 Homo sapiens CHEMBL2416556 single protein format
CHEMBL3985942 OBDepict F N N N O N O N CH 3 N N IC50 = 1.2 nM 447.47 Cc1ccc(-n2nccn2)c(C(=O)N2CCCOC2Cn2ccc(-c3ccc(F)cn3)n2)c1 Homo sapiens CHEMBL3888032 assay format
CHEMBL3978354 OBDepict CH 3 N N O N N O N N F IC50 = 1.2 nM 458.5 Cc1ccc(-c2ncccn2)c(C(=O)N2CCCOC2Cn2ccc(-c3ccc(F)cc3)n2)n1 Homo sapiens CHEMBL3888032 assay format
CHEMBL3260836 OBDepict O N H H 3 C N N N N N N NH 2 S CH 3 Ki = 1.2 nM 448.56 Cc1csc2nc(N3CC[C@@H](C)N(C(=O)c4ccccc4-n4nccn4)CC3)nc(N)c12 Homo sapiens CHEMBL3267682 cell-based format
CHEMBL3394841 OBDepict CH 3 N O O N N N N F Ki = 1.3 nM 431.47 CC1CCC(Oc2ccnc3c(F)cccc23)CN1C(=O)c1ccccc1-n1nccn1 Homo sapiens CHEMBL3395398 single protein format
CHEMBL3426150 OBDepict N N O H N H H 3 C O N N Ki = 1.3 nM 399.45 C[C@@H]1CC[C@@H](Oc2cc(C#N)ccn2)CN1C(=O)c1ccccc1-c1ncccn1 Homo sapiens CHEMBL3705236 single protein format
CHEMBL3099897 OBDepict CH 3 O O CH 3 N H O N N Cl Ki = 1.3 nM 459.93 COc1ccc(CNC(=O)c2cc(-c3cccc(Cl)c3)cnc2-c2cccnc2)cc1OC Homo sapiens CHEMBL3101095 single protein format
CHEMBL3426144 OBDepict CH 3 O N O H N H CH 3 O N N N Ki = 1.3 nM 393.45 COc1ccnc(O[C@@H]2CC[C@@H](C)N(C(=O)c3ccccc3-n3nccn3)C2)c1 Homo sapiens CHEMBL3429483 cell-based format
CHEMBL4081615 OBDepict CH 3 O N N N N O H H 3 C H O N H 3 C N Ki = 1.3 nM 432.48 COc1ccc(C(=O)N2C[C@H](Oc3nccc(C#N)c3C)CC[C@H]2C)c(-n2nccn2)c1 Homo sapiens CHEMBL3999717 cell-based format
CHEMBL3920093 OBDepict CH 3 O N O N N N CH 3 N N N F IC50 = 1.4 nM 461.5 Cc1ccc(-n2nccn2)c(C(=O)N2CC(C)COC2Cn2cc(-c3ccc(F)cn3)cn2)c1 Homo sapiens CHEMBL3888032 assay format
CHEMBL3338857 OBDepict CH 3 O N O CH 3 N H O N N N CH 3 Ki = 1.4 nM 441.49 COc1ccc(CNC(=O)c2cc(-c3cncc(C)c3)ncc2-c2ccccn2)nc1OC Homo sapiens CHEMBL3387579 cell-based format
CHEMBL3338855 OBDepict CH 3 O N O CH 3 HN O N F N H 3 C Ki = 1.4 nM 458.49 COc1ccc(CNC(=O)c2cc(-c3cncc(C)c3)ncc2-c2ccccc2F)nc1OC Homo sapiens CHEMBL3387579 cell-based format
CHEMBL3338849 OBDepict CH 3 O N O CH 3 N H O N N N CH 3 Ki = 1.4 nM 441.49 COc1ccc(CNC(=O)c2nc(-c3cncc(C)c3)cnc2-c2ccccc2)nc1OC Homo sapiens CHEMBL3387579 cell-based format
CHEMBL3426141 OBDepict Cl N O H N H H 3 C O N N N Ki = 1.4 nM 397.87 C[C@@H]1CC[C@@H](Oc2cc(Cl)ccn2)CN1C(=O)c1ccccc1-n1nccn1 Homo sapiens CHEMBL3429483 cell-based format
CHEMBL3260834 OBDepict CH 3 S N NH 2 N N N H H 3 C O N N N Ki = 1.5 nM 448.56 Cc1cc2c(N)nc(N3CC[C@@H](C)N(C(=O)c4ccccc4-n4nccn4)CC3)nc2s1 Homo sapiens CHEMBL3267682 cell-based format
CHEMBL3622331 OBDepict CH 3 O N N N F F F N H H 3 C O N CH 3 N N Ki = 1.5 nM 475.48 COc1nc(N2CC[C@@H](C)N(C(=O)c3cc(C)ccc3-n3nccn3)CC2)ncc1C(F)(F)F Homo sapiens CHEMBL3625144 cell-based format
CHEMBL4060310 OBDepict N H 3 C N O H N H CH 3 O N N N N Ki = 1.6 nM 403.45 Cc1c(C#N)ccnc1O[C@@H]1CC[C@@H](C)N(C(=O)c2ccccc2-n2ncnn2)C1 Homo sapiens CHEMBL3999717 cell-based format
CHEMBL3426137 OBDepict N N O H N H H 3 C O N N N Ki = 1.6 nM 388.43 C[C@@H]1CC[C@@H](Oc2cc(C#N)ccn2)CN1C(=O)c1ccccc1-n1nccn1 Homo sapiens CHEMBL3429483 cell-based format
CHEMBL3622330 OBDepict H 3 C N N O N N H CH 3 N N N H 3 C F F F Ki = 1.6 nM 459.48 Cc1ccc(-n2nccn2)c(C(=O)N2CCN(c3ncc(C(F)(F)F)c(C)n3)CC[C@H]2C)c1 Homo sapiens CHEMBL3625144 cell-based format
CHEMBL3930099 OBDepict F O N N O N O N CH 3 N N IC50 = 1.7 nM 448.46 Cc1ccc(-n2nccn2)c(C(=O)N2CCCOC2Cc2noc(-c3ccc(F)cc3)n2)c1 Homo sapiens CHEMBL3888032 assay format
CHEMBL4059661 OBDepict CH 3 O N N O H H 3 C H O N H 3 C N Ki = 1.7 nM 406.49 COc1ccc(C(=O)N2C[C@H](Oc3nccc(C#N)c3C)CC[C@H]2C)c(C2CC2)n1 Homo sapiens CHEMBL3999717 cell-based format