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P80365 | DHI2_HUMAN | 11-beta-hydroxysteroid dehydrogenase type 2 (HSD11B2)

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
CHEMBL1269273 OBDepict H 3 C O O H H 3 C CH 3 H CH 3 H O CH 3 CH 3 H CH 3 CH 3 N O OH H 3 C IC50 = 2.9 nM 541.77 CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2C(=O)C=C2[C@@H]4C[C@@](C)(C(=O)N(C)O)CC[C@]4(C)CC[C@]23C)C1(C)C Homo sapiens CHEMBL1272436 cell-based format
CHEMBL373257 OBDepict F N N O N N N H 3 C F F F IC50 = 3.0 nM 497.5 Cn1c(-c2ccccc2C(F)(F)F)nnc1C12CCC(c3nc(-c4ccc(F)cc4)no3)(CC1)CC2 Homo sapiens CHEMBL2396179 cell-based format
CHEMBL1271410 OBDepict H 3 C O N H H H 3 C CH 3 H CH 3 H O CH 3 CH 3 H CH 3 CH 3 O HO ClH IC50 = 4.9 nM 536.2 CON[C@@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2C(=O)C=C2[C@@H]4C[C@@](C)(C(=O)O)CC[C@]4(C)CC[C@]23C)C1(C)C.Cl Homo sapiens CHEMBL1272436 cell-based format
CHEMBL1761313 OBDepict CH 3 S O O N N N CH 3 F F F IC50 = 7.5 nM 455.55 CCS(=O)(=O)CCC12CCC(c3nnc(-c4ccccc4C(F)(F)F)n3C)(CC1)CC2 Homo sapiens CHEMBL2396179 cell-based format
CHEMBL597481 OBDepict HO O H 3 C N N H O IC50 = 10.0 nM 436.6 Cc1ccc2c(c1)C(CC(=O)O)CC21CCN(C(=O)NC2C3CC4CC(C3)CC2C4)CC1 Homo sapiens CHEMBL1073439 single protein format
CHEMBL1689172 OBDepict CH 3 H H 3 C CH 3 O OH CH 3 O H H 3 C H CH 3 CH 3 H O N N O H O IC50 = 11.0 nM 554.73 CC1(C)[C@@H](Oc2noc(=O)[nH]2)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@@H]3C[C@@](C)(C(=O)O)CC[C@]3(C)CC[C@]21C Homo sapiens CHEMBL1693471 cell-based format
CHEMBL1689280 OBDepict O N H CH 3 H 3 C CH 3 H H O H 3 C CH 3 H H 3 C H 3 C N O HO CH 3 IC50 = 11.0 nM 512.74 CN(O)C(=O)[C@@]1(C)CC[C@]2(C)CC[C@]3(C)C(=CC(=O)[C@@H]4[C@@]5(C)CCC(=O)NC(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 Homo sapiens CHEMBL1693471 cell-based format
CHEMBL1269877 OBDepict H 3 C O N H H H 3 C CH 3 H CH 3 H O CH 3 CH 3 H CH 3 CH 3 O HO ClH IC50 = 14.5 nM 536.2 CON[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2C(=O)C=C2[C@@H]4C[C@@](C)(C(=O)O)CC[C@]4(C)CC[C@]23C)C1(C)C.Cl Homo sapiens CHEMBL1272436 cell-based format
CHEMBL1689282 OBDepict CH 3 N HO O H 3 C H CH 3 CH 3 O CH 3 H H 3 C H CH 3 CH 3 H O N N O H O IC50 = 15.0 nM 583.77 CN(O)C(=O)[C@@]1(C)CC[C@]2(C)CC[C@]3(C)C(=CC(=O)[C@@H]4[C@@]5(C)CC[C@H](Oc6noc(=O)[nH]6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 Homo sapiens CHEMBL1693471 cell-based format
CHEMBL1689283 OBDepict NH 2 N H O H 3 C H CH 3 H 3 C O CH 3 H CH 3 H H 3 C H 3 C H HO IC50 = 17.0 nM 484.73 CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@@H]3C[C@@](C)(NC(N)=O)CC[C@]3(C)CC[C@]21C Homo sapiens CHEMBL1693471 cell-based format
CHEMBL384650 OBDepict N N O N H 3 C CH 3 O IC50 = 20.0 nM 341.45 CC1(C)C(=O)N(C2CCCCCC2)CC1COc1ccc(C#N)cn1 Homo sapiens CHEMBL856748 single protein format
CHEMBL2391969 OBDepict H 3 C N N N F F F N N O F F CH 3 IC50 = 30.4 nM 467.44 Cn1c(-c2ccccc2C(F)(F)F)nnc1C12CCC(c3noc(C(C)(F)F)n3)(CC1)CC2 Homo sapiens CHEMBL2396179 cell-based format
CHEMBL1761321 OBDepict H 3 C S O O N N N H 3 C F F F IC50 = 31.2 nM 441.52 CCS(=O)(=O)CC12CCC(c3nnc(-c4ccccc4C(F)(F)F)n3C)(CC1)CC2 Homo sapiens CHEMBL2396179 cell-based format
CHEMBL1689279 OBDepict NH 2 NH O H 3 C H H 3 C CH 3 O H 3 C H CH 3 H H 3 C CH 3 N H O IC50 = 33.0 nM 497.72 CC1(C)NC(=O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@@H]3C[C@@](C)(NC(N)=O)CC[C@]3(C)CC[C@]21C Homo sapiens CHEMBL1693471 cell-based format
CHEMBL1689284 OBDepict H 2 N HN O CH 3 H H 3 C CH 3 O H 3 C H CH 3 H H 3 C CH 3 O IC50 = 45.0 nM 482.71 CC1(C)C(=O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@@H]3C[C@@](C)(NC(N)=O)CC[C@]3(C)CC[C@]21C Homo sapiens CHEMBL1693471 cell-based format
CHEMBL425772 OBDepict HO O CH 3 H H 3 C CH 3 O H 3 C H CH 3 H H 3 C CH 3 H NH 2 IC50 = 60.0 nM 469.71 CC1(C)[C@@H](N)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@@H]3C[C@@](C)(C(=O)O)CC[C@]3(C)CC[C@]21C Homo sapiens CHEMBL863122 cell-based format
CHEMBL1270688 OBDepict HO N H O CH 3 H CH 3 CH 3 O CH 3 H H 3 C H CH 3 CH 3 H O O CH 3 IC50 = 61.1 nM 527.75 CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2C(=O)C=C2[C@@H]4C[C@@](C)(C(=O)NO)CC[C@]4(C)CC[C@]23C)C1(C)C Homo sapiens CHEMBL1272436 cell-based format
CHEMBL4170932 OBDepict O N IC50 = 100.0 nM 261.41 O=C(C1CCCCC1)N1CC2C3CCC(CC3)C2C1 Homo sapiens CHEMBL4132701 cell-based format
CHEMBL4163698 OBDepict O N IC50 < 100.0 nM 245.37 O=C(C1CCCCC1)N1CC2C3C=CC(C3)C2C1 Homo sapiens CHEMBL4132701 cell-based format
CHEMBL4174368 OBDepict O N IC50 < 100.0 nM 247.38 O=C(C1CCCCC1)N1CC2C3CCC(C3)C2C1 Homo sapiens CHEMBL4132701 cell-based format
CHEMBL4160328 OBDepict O N IC50 = 100.0 nM 259.39 O=C(C1CCCCC1)N1CC2C3C=CC(CC3)C2C1 Homo sapiens CHEMBL4132701 cell-based format
CHEMBL4162610 OBDepict O N IC50 < 100.0 nM 273.42 O=C(C1CCCCC1)N1CC2C3CCC(C4CC34)C2C1 Homo sapiens CHEMBL4132701 cell-based format
CHEMBL1689173 OBDepict CH 3 O O H CH 3 H 3 C H CH 3 H O H 3 C CH 3 H H 3 C H 3 C N H O NH 2 IC50 = 104.0 nM 526.76 CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2C(=O)C=C2[C@@H]4C[C@@](C)(NC(N)=O)CC[C@]4(C)CC[C@]23C)C1(C)C Homo sapiens CHEMBL1693471 cell-based format
CHEMBL1271303 OBDepict HO N H O CH 3 H H 3 C CH 3 O H 3 C H CH 3 H H 3 C CH 3 H OH IC50 = 122.0 nM 485.71 CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@@H]3C[C@@](C)(C(=O)NO)CC[C@]3(C)CC[C@]21C Homo sapiens CHEMBL1272436 cell-based format
CHEMBL200513 OBDepict CH 3 N N N IC50 = 183.0 nM 329.53 CCCCCC12CCC(c3nnc4n3CCCCCC4)(CC1)CC2 Homo sapiens CHEMBL868714 single protein format
CHEMBL207413 OBDepict CH 3 O O H H 3 C H 3 C H CH 3 H O CH 3 H 3 C H CH 3 CH 3 O HO IC50 = 201.0 nM 512.73 CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2C(=O)C=C2[C@@H]4C[C@@](C)(C(=O)O)CC[C@]4(C)CC[C@]23C)C1(C)C Homo sapiens CHEMBL863122 cell-based format
CHEMBL256090 OBDepict H 3 C N N N IC50 = 216.0 nM 323.48 Cc1ccc(C2(c3nnc4n3CCCCCC4)CCCCC2)cc1 Homo sapiens CHEMBL934815 single protein format
CHEMBL372768 OBDepict Cl N N O N N N IC50 = 228.0 nM 437.98 Clc1ccc(-c2noc(C34CCC(c5nnc6n5CCCCCC6)(CC3)CC4)n2)cc1 Homo sapiens CHEMBL868714 single protein format
CHEMBL230006 OBDepict HO O CH 3 H H 3 C CH 3 O H 3 C H CH 3 H H 3 C CH 3 H OH IC50 = 257.0 nM 470.69 CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@@H]3C[C@@](C)(C(=O)O)CC[C@]3(C)CC[C@]21C Homo sapiens CHEMBL1272436 cell-based format
CHEMBL1270589 OBDepict CH 3 O N CH 3 H 3 C H CH 3 H O H 3 C CH 3 H H 3 C H 3 C O OH IC50 = 268.0 nM 497.72 CO/N=C1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2C(=O)C=C2[C@@H]4C[C@@](C)(C(=O)O)CC[C@]4(C)CC[C@]23C)C1(C)C Homo sapiens CHEMBL1272436 cell-based format
CHEMBL1761135 OBDepict CH 3 OH N N N IC50 = 290.0 nM 345.53 CC(O)CCCC12CCC(c3nnc4n3CCCCCC4)(CC1)CC2 Homo sapiens CHEMBL1764084 cell-based format
CHEMBL493512 OBDepict HO O CH 3 H H 3 C CH 3 O H 3 C H CH 3 H H 3 C CH 3 O IC50 = 329.0 nM 468.68 CC1(C)C(=O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@@H]3C[C@@](C)(C(=O)O)CC[C@]3(C)CC[C@]21C Homo sapiens CHEMBL1272436 cell-based format
CHEMBL240269 OBDepict O N S N H F IC50 = 380.0 nM 278.35 O=C1N=C(Nc2ccccc2F)SC1C1CCCC1 Homo sapiens CHEMBL900941 single protein format
CHEMBL1911698 OBDepict N OH N S IC50 = 386.0 nM 344.44 N#Cc1c(O)nc(SCc2ccccc2)c2c1-c1ccccc1CC2 Homo sapiens CHEMBL1913254 single protein format
CHEMBL2035569 OBDepict HO O CH 3 H H H 3 C H H H 3 C CH 3 OH H H OH HO CH 3 CH 3 IC50 = 400.0 nM 490.73 C[C@H](CC[C@@H](O)C(C)(C)O)[C@H]1CC[C@@]2(C(=O)O)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O)CC[C@@]45C[C@@]35CC[C@]12C Homo sapiens CHEMBL2038877 cell-based format
CHEMBL1563246 OBDepict O CH 3 H H OH H H CH 3 H O CH 3 IC50 = 400.0 nM 330.47 CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@H](O)C[C@]12C Homo sapiens CHEMBL2446793 cell-based format
CHEMBL1270093 OBDepict CH 3 N H O H H 3 C H 3 C H CH 3 H O CH 3 H 3 C H CH 3 CH 3 O HO IC50 = 458.0 nM 511.75 CC(=O)N[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2C(=O)C=C2[C@@H]4C[C@@](C)(C(=O)O)CC[C@]4(C)CC[C@]23C)C1(C)C Homo sapiens CHEMBL1272436 cell-based format
CHEMBL1761142 OBDepict Cl O N N N H 3 C F F F IC50 = 460.0 nM 475.94 Cn1c(-c2ccccc2C(F)(F)F)nnc1C12CCC(COc3ccc(Cl)cc3)(CC1)CC2 Homo sapiens CHEMBL1764084 cell-based format
CHEMBL2440888 OBDepict O CH 3 H H OH H H CH 3 H O CH 3 IC50 = 490.0 nM 330.47 CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C Homo sapiens CHEMBL2446793 cell-based format
CHEMBL256515 OBDepict CH 3 N N N IC50 = 503.0 nM 309.46 Cc1ccc(C2(c3nnc4n3CCCCCC4)CCCC2)cc1 Homo sapiens CHEMBL934815 single protein format
CHEMBL597063 OBDepict OH O CH 3 N HN O IC50 = 510.0 nM 436.6 Cc1cccc2c1C(CC(=O)O)CC21CCN(C(=O)NC2C3CC4CC(C3)CC2C4)CC1 Homo sapiens CHEMBL1073439 single protein format
CHEMBL240053 OBDepict O N S N H F IC50 = 530.0 nM 292.38 O=C1N=C(Nc2ccccc2F)SC1C1CCCCC1 Homo sapiens CHEMBL900941 single protein format
CHEMBL246678 OBDepict F Cl O H 3 C H 3 C N H O H N N N H N IC50 = 550.0 nM 433.92 CC(C)(Oc1ccc(F)cc1Cl)C(=O)N[C@H]1C2CC3CC1C[C@](c1nnn[nH]1)(C3)C2 Homo sapiens CHEMBL902517 single protein format
CHEMBL246888 OBDepict O N H O CH 3 CH 3 Cl H NH O S O O H 3 C IC50 = 580.0 nM 469.0 CC(C)(Oc1ccccc1Cl)C(=O)N[C@H]1C2CC3CC1C[C@](C(=O)NS(C)(=O)=O)(C3)C2 Homo sapiens CHEMBL902517 single protein format
CHEMBL256292 OBDepict Cl N N N IC50 = 613.0 nM 343.9 Clc1ccc(C2(c3nnc4n3CCCCCC4)CCCCC2)cc1 Homo sapiens CHEMBL934815 single protein format
CHEMBL218570 OBDepict O N CH 3 H 3 C H O N N N N H N F F F IC50 = 630.0 nM 490.53 CC1(C)C(=O)N([C@H]2C3CC4CC2C[C@](c2nnn[nH]2)(C4)C3)CC1COc1ccc(C(F)(F)F)cn1 Homo sapiens CHEMBL856748 single protein format
CHEMBL2402465 OBDepict O N H N H H 3 C H CH 3 H H OH H HO H H 2 C IC50 = 700.0 nM 482.71 C=C1[C@H]2C[C@H](O)[C@H]3[C@]4(C)CCC[C@@](C)(NC(=O)NC56CC7CC(CC(C7)C5)C6)[C@H]4CC[C@]3(C2)[C@@H]1O Homo sapiens CHEMBL2405917 single protein format
CHEMBL4170544 OBDepict O N IC50 = 1000.0 nM 271.4 O=C(C1CCCCC1)N1CC2C3C=CC(C4CC34)C2C1 Homo sapiens CHEMBL4132701 cell-based format