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P07550 | ADRB2_HUMAN | Beta-2 adrenergic receptor (ADRB2)

3D structures mapped by conservation among orthologs

[ Domain: "Lysozyme-like" // Phage_lysozyme_2 ]

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[ 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
CHEMBL3799125 OBDepict CH 3 O O N H HO H O N H Ki = 0.034 nM 406.48 COc1ccccc1OCCNC[C@H](O)COc1cccc2[nH]c3ccccc3c12 Homo sapiens CHEMBL3801474 cell-based format
CHEMBL1160723 OBDepict CH 3 N H CH 3 OH H HO HO IC50 = 0.05 nM 211.26 CC(C)NC[C@H](O)c1ccc(O)c(O)c1 Homo sapiens CHEMBL3887982 cell-based format
CHEMBL4456301 OBDepict NH 2 S S O O CH 3 N H OH H O Ki = 0.073 nM 516.73 COc1cc(CCNC[C@H](O)COc2cccc3ccccc23)ccc1OCCCSSCCN Homo sapiens CHEMBL4402768 cell-based format
CHEMBL36060 OBDepict H HO O N H CH 3 CH 3 CH 3 N N OH H Ki = 0.1 nM 279.34 CC(C)(C)NC[C@H](O)COc1cccc2[nH]c(O)nc12 Homo sapiens CHEMBL822409 single protein format
CHEMBL1082501 OBDepict HO N O N H N Ki = 0.1 nM 415.54 OC(COc1cccc2[nH]c3ccccc3c12)CN1CCC(Cc2cccnc2)CC1 Homo sapiens CHEMBL1120618 cell-based format
CHEMBL324665 OBDepict OH O HN CH 3 H 3 C N H Ki = 0.114 nM 298.39 CC(C)NCC(O)COc1cccc2[nH]c3ccccc3c12 Homo sapiens CHEMBL990610 single protein format
CHEMBL388570 OBDepict HO NH H 3 C H HO H OH OH IC50 = 0.14 nM 303.36 C[C@H](Cc1ccc(O)cc1)NC[C@H](O)c1cc(O)cc(O)c1 Homo sapiens CHEMBL3887982 cell-based format
CHEMBL513104 OBDepict OH O N H H 3 C H 3 C H 3 C O Ki = 0.145 nM 313.4 CC(C)(C)NCC(O)COc1cccc2oc3ccccc3c12 Homo sapiens CHEMBL990610 single protein format
CHEMBL4537221 OBDepict NH 2 S S O O H 3 C N H HO H O Ki = 0.16 nM 502.7 COc1cc(CCNC[C@H](O)COc2cccc3ccccc23)ccc1OCCSSCCN Homo sapiens CHEMBL4402768 cell-based format
CHEMBL723 OBDepict H 3 C O O N H HO O N H Ki = 0.166 nM 406.48 COc1ccccc1OCCNCC(O)COc1cccc2[nH]c3ccccc3c12 Homo sapiens CHEMBL1909092 cell membrane format
CHEMBL228992 OBDepict CH 3 O N H H 3 C H OH H OH HO IC50 = 0.17 nM 317.39 COc1ccc(C[C@@H](C)NC[C@H](O)c2cc(O)cc(O)c2)cc1 Homo sapiens CHEMBL3887982 cell-based format
CHEMBL1082500 OBDepict CH 3 O N OH O N H Ki = 0.2 nM 444.58 COc1ccc(CC2CCN(CC(O)COc3cccc4[nH]c5ccccc5c34)CC2)cc1 Homo sapiens CHEMBL1120618 cell-based format
CHEMBL1082828 OBDepict CH 3 O O N OH O N H Ki = 0.2 nM 458.56 COc1ccc(C(=O)C2CCN(CC(O)COc3cccc4[nH]c5ccccc5c34)CC2)cc1 Homo sapiens CHEMBL1120618 cell-based format
CHEMBL1082827 OBDepict HO N O N O H Ki = 0.2 nM 428.53 O=C(c1ccccc1)C1CCN(CC(O)COc2cccc3[nH]c4ccccc4c23)CC1 Homo sapiens CHEMBL1120618 cell-based format
CHEMBL499 OBDepict H OH O N H N CH 3 H 3 C CH 3 S N N O Ki = 0.201 nM 316.43 CC(C)(C)NC[C@H](O)COc1nsnc1N1CCOCC1 Homo sapiens CHEMBL1909092 cell membrane format
CHEMBL723 OBDepict H 3 C O O N H HO O N H IC50 = 0.241 nM 406.48 COc1ccccc1OCCNCC(O)COc1cccc2[nH]c3ccccc3c12 Homo sapiens CHEMBL1909092 cell membrane format
CHEMBL452861 OBDepict H 3 C HN CH 3 HO H O Ki = 0.244 nM 259.35 CC(C)NC[C@H](O)COc1cccc2ccccc12 Homo sapiens CHEMBL1909092 cell membrane format
CHEMBL3798748 OBDepict CH 3 O O N H OH H O HN HO O Ki = 0.25 nM 492.57 COc1cc(CCNC[C@H](O)c2ccc(O)c3c2OCC(=O)N3)ccc1OCCCc1ccccc1 Homo sapiens CHEMBL3801474 cell-based format
CHEMBL499 OBDepict H OH O N H N CH 3 H 3 C CH 3 S N N O IC50 = 0.292 nM 316.43 CC(C)(C)NC[C@H](O)COc1nsnc1N1CCOCC1 Homo sapiens CHEMBL1909092 cell membrane format
CHEMBL1221804 OBDepict CH 3 N HN HO H S N HO O H Ki = 0.3 nM 373.48 CN(CCCNC[C@H](O)c1ccc(O)c2[nH]c(=O)sc12)c1ccccc1 Homo sapiens CHEMBL1227592 single protein format
CHEMBL1086077 OBDepict HO N O N O H F Ki = 0.3 nM 446.52 O=C(c1ccc(F)cc1)C1CCN(CC(O)COc2cccc3[nH]c4ccccc4c23)CC1 Homo sapiens CHEMBL1120618 cell-based format
CHEMBL461463 OBDepict OH N O N CH 3 N H Ki = 0.311 nM 455.6 Cc1c[nH]c2cccc(OCC(O)CN3CCN(C(c4ccccc4)c4ccccc4)CC3)c12 Homo sapiens CHEMBL990610 single protein format
CHEMBL452861 OBDepict H 3 C HN CH 3 HO H O IC50 = 0.355 nM 259.35 CC(C)NC[C@H](O)COc1cccc2ccccc12 Homo sapiens CHEMBL1909092 cell membrane format
CHEMBL3323658 OBDepict O S N H OH HO H HN H H Ki = 0.4 nM 398.53 O=c1[nH]c2c(O)ccc([C@@H](O)CN[C@@H]3CCC[C@@H]3CCc3ccccc3)c2s1 Homo sapiens CHEMBL3378137 cell-based format
CHEMBL500 OBDepict OH O HN CH 3 CH 3 N H Ki = 0.4 nM 248.33 CC(C)NCC(O)COc1cccc2[nH]ccc12 Homo sapiens CHEMBL899656 single protein format
CHEMBL1221590 OBDepict O S N H OH OH H N H H 3 C H 3 C Ki = 0.4 nM 358.46 CC(C)(Cc1ccccc1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)sc12 Homo sapiens CHEMBL1227592 single protein format
CHEMBL3800400 OBDepict CH 3 O O N H OH H N HO H O Ki = 0.48 nM 488.58 COc1cc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)ccc1OCCCc1ccccc1 Homo sapiens CHEMBL3801474 cell-based format
CHEMBL513389 OBDepict CH 3 N H CH 3 CH 3 HO O CH 3 Ki = 0.5 nM 277.41 Cc1ccc(OCC(O)C(C)NC(C)C)c2c1CCC2 Homo sapiens CHEMBL953125 single protein format
CHEMBL1221680 OBDepict O S N H OH HO H HN H H O Ki = 0.5 nM 400.5 O=c1[nH]c2c(O)ccc([C@@H](O)CN[C@@H]3CCC[C@H]3OCc3ccccc3)c2s1 Homo sapiens CHEMBL1227592 single protein format
CHEMBL1086542 OBDepict HO N O N H Ki = 0.5 nM 414.55 OC(COc1cccc2[nH]c3ccccc3c12)CN1CCC(Cc2ccccc2)CC1 Homo sapiens CHEMBL1120618 cell-based format
CHEMBL1201237 OBDepict H OH O N H CH 3 CH 3 CH 3 O Ki = 0.546 nM 291.39 CC(C)(C)NC[C@H](O)COc1cccc2c1CCCC2=O Homo sapiens CHEMBL1909092 cell membrane format
CHEMBL500 OBDepict OH O HN CH 3 CH 3 N H IC50 = 0.549 nM 248.33 CC(C)NCC(O)COc1cccc2[nH]ccc12 Homo sapiens CHEMBL1909092 cell membrane format
CHEMBL1221682 OBDepict O S N H OH OH H N H H H Ki = 0.6 nM 362.5 O=c1[nH]c2c(O)ccc([C@@H](O)CN[C@@H]3CCC[C@@H]3C3CCCC3)c2s1 Homo sapiens CHEMBL1227592 single protein format
CHEMBL3323654 OBDepict O S N H OH OH H N H H H Ki = 0.6 nM 362.5 O=c1[nH]c2c(O)ccc([C@@H](O)CN[C@H]3CCC[C@@H]3C3CCCC3)c2s1 Homo sapiens CHEMBL3378137 cell-based format
CHEMBL2088201 OBDepict H 3 C CH 3 CH 3 NH HO H N OH H O Ki = 0.6 nM 406.53 CCc1cc2c(cc1CC)CC(C)(NC[C@H](O)c1ccc(O)c3[nH]c(=O)ccc13)C2 Homo sapiens CHEMBL2091584 single protein format
CHEMBL198059 OBDepict CH 3 N H CH 3 H 3 C H HO H O CH 3 IC50 = 0.74 nM 277.41 Cc1ccc(OC[C@H](O)[C@H](C)NC(C)C)c2c1CCC2 Homo sapiens CHEMBL3876342 cell-based format
CHEMBL27 OBDepict HO O HN CH 3 H 3 C Ki = 0.767 nM 259.35 CC(C)NCC(O)COc1cccc2ccccc12 Homo sapiens CHEMBL1909092 cell membrane format
CHEMBL1201237 OBDepict H OH O N H CH 3 CH 3 CH 3 O IC50 = 0.793 nM 291.39 CC(C)(C)NC[C@H](O)COc1cccc2c1CCCC2=O Homo sapiens CHEMBL1909092 cell membrane format
CHEMBL1221683 OBDepict O S N H OH OH H N H H H Ki = 0.8 nM 362.5 O=c1[nH]c2c(O)ccc([C@@H](O)CN[C@@H]3CCC[C@H]3C3CCCC3)c2s1 Homo sapiens CHEMBL1227592 single protein format
CHEMBL3798017 OBDepict CH 3 O O N H HO H O N H Ki = 0.88 nM 406.48 COc1ccccc1OCCNC[C@@H](O)COc1cccc2[nH]c3ccccc3c12 Homo sapiens CHEMBL3801474 cell-based format
CHEMBL4465173 OBDepict Cl Cl HN N N IC50 < 1.0 nM 344.25 Clc1ccc(CNCc2ccc(-c3ncccn3)cc2)cc1Cl Homo sapiens CHEMBL4381024 single protein format
CHEMBL266195 OBDepict CH 2 O OH N H CH 3 H 3 C Ki = 1.0 nM 249.35 C=CCc1ccccc1OCC(O)CNC(C)C Homo sapiens CHEMBL2445020 cell-based format
CHEMBL1263 OBDepict OH OH OH N H O Ki = 1.0 nM 415.57 OCc1cc(C(O)CNCCCCCCOCCCCc2ccccc2)ccc1O Homo sapiens CHEMBL876356 single protein format
CHEMBL1221541 OBDepict H HO N H S N CH 3 H OH O H Ki = 1.0 nM 336.46 C[C@@H](NC[C@H](O)c1ccc(O)c2[nH]c(=O)sc12)C1CCCCC1 Homo sapiens CHEMBL1227592 single protein format
CHEMBL487508 OBDepict CH 3 O N H H 3 C CH 3 HO H O Cl Cl IC50 = 1.0 nM 398.33 COc1ccc(CC(C)(C)NC[C@H](O)COc2cccc(Cl)c2Cl)cc1 Homo sapiens CHEMBL952690 single protein format
CHEMBL117405 OBDepict H 3 C NH CH 3 OH H O N H Ki = 1.08 nM 248.33 CC(C)NC[C@H](O)COc1cccc2[nH]ccc12 Homo sapiens CHEMBL1909092 cell membrane format
CHEMBL4463925 OBDepict NH 2 S S O O CH 3 N H OH H O Ki = 1.1 nM 516.73 COc1cc(CCNC[C@@H](O)COc2cccc3ccccc23)ccc1OCCCSSCCN Homo sapiens CHEMBL4402768 cell-based format
CHEMBL27 OBDepict HO O HN CH 3 H 3 C IC50 = 1.116 nM 259.35 CC(C)NCC(O)COc1cccc2ccccc12 Homo sapiens CHEMBL1909092 cell membrane format
CHEMBL229614 OBDepict OH OH HO H N H H 3 C H IC50 = 1.19 nM 337.42 C[C@@H](Cc1cccc2ccccc12)NC[C@H](O)c1cc(O)cc(O)c1 Homo sapiens CHEMBL3887982 cell-based format
CHEMBL1083668 OBDepict OH N O O CH 3 H 3 C Ki = 1.2 nM 279.38 CC(C)c1ccccc1OCC(O)CN1CCOCC1 Homo sapiens CHEMBL1120618 cell-based format
CHEMBL1221589 OBDepict O S N H OH OH H N H Ki = 1.2 nM 344.44 O=c1[nH]c2c(O)ccc([C@@H](O)CNCCCc3ccccc3)c2s1 Homo sapiens CHEMBL1227592 single protein format
CHEMBL486278 OBDepict CH 3 O N H H 3 C H 3 C OH H O N H N O H IC50 = 1.3 nM 385.46 COc1ccc(CC(C)(C)NC[C@H](O)COc2cccc3[nH]c(=O)[nH]c23)cc1 Homo sapiens CHEMBL952690 single protein format
CHEMBL4285281 OBDepict H 3 C O O H 3 C H N H H HO IC50 = 1.4 nM 297.35 COc1cc2c3c(c1OC)-c1ccccc1[C@@H](O)[C@@H]3NCC2 Homo sapiens CHEMBL4258826 single protein format
CHEMBL3323668 OBDepict CH 3 NH HO H S N OH O H Ki = 1.4 nM 386.52 CCCCc1cccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)c1 Homo sapiens CHEMBL3378137 cell-based format
CHEMBL1800936 OBDepict H 3 C N H H OH H HO OH HO IC50 = 1.44 nM 317.39 CC[C@H](Cc1ccc(O)cc1)NC[C@H](O)c1cc(O)cc(O)c1 Homo sapiens CHEMBL3887982 cell-based format
CHEMBL229401 OBDepict OH OH HO H N H H 3 C H IC50 = 1.57 nM 337.42 C[C@H](Cc1cccc2ccccc12)NC[C@H](O)c1cc(O)cc(O)c1 Homo sapiens CHEMBL3887982 cell-based format
CHEMBL117405 OBDepict H 3 C NH CH 3 OH H O N H IC50 = 1.571 nM 248.33 CC(C)NC[C@H](O)COc1cccc2[nH]ccc12 Homo sapiens CHEMBL1909092 cell membrane format
CHEMBL3323670 OBDepict H 3 C O HN OH H S N OH O H Ki = 1.7 nM 402.52 CCCCOc1cccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)c1 Homo sapiens CHEMBL3378137 cell-based format
CHEMBL1221587 OBDepict O S N H OH OH H N H Ki = 1.8 nM 330.41 O=c1[nH]c2c(O)ccc([C@@H](O)CNCCc3ccccc3)c2s1 Homo sapiens CHEMBL1227592 single protein format
CHEMBL1221636 OBDepict O S N H HO HO H N H Ki = 1.8 nM 358.46 O=c1[nH]c2c(O)ccc([C@@H](O)CNCCCCc3ccccc3)c2s1 Homo sapiens CHEMBL1227592 single protein format
CHEMBL1221543 OBDepict H OH N H S N H 3 C CH 3 H 3 C CH 3 H 3 C OH O H Ki = 1.9 nM 338.47 CC(C)(C)CC(C)(C)NC[C@H](O)c1ccc(O)c2[nH]c(=O)sc12 Homo sapiens CHEMBL1227592 single protein format
CHEMBL1800961 OBDepict OH OH HO H N H H 3 C H IC50 = 1.91 nM 337.42 C[C@H](Cc1ccc2ccccc2c1)NC[C@H](O)c1cc(O)cc(O)c1 Homo sapiens CHEMBL3887982 cell-based format
CHEMBL3323655 OBDepict O S N H HO HO H HN H H Ki = 2.0 nM 376.52 O=c1[nH]c2c(O)ccc([C@@H](O)CN[C@@H]3CCC[C@@H]3C3CCCCC3)c2s1 Homo sapiens CHEMBL3378137 cell-based format
CHEMBL228996 OBDepict CH 3 O N H H 3 C H OH H OH HO IC50 = 2.01 nM 317.39 COc1ccc(C[C@H](C)NC[C@H](O)c2cc(O)cc(O)c2)cc1 Homo sapiens CHEMBL3887982 cell-based format
CHEMBL513389 OBDepict CH 3 N H CH 3 CH 3 HO O CH 3 IC50 = 2.3 nM 277.41 Cc1ccc(OCC(O)C(C)NC(C)C)c2c1CCC2 Homo sapiens CHEMBL884282 single protein format
CHEMBL1083669 OBDepict CH 2 O OH N H N H 3 C Ki = 2.4 nM 304.43 C=CCc1ccccc1OCC(O)CNC1CCN(C)CC1 Homo sapiens CHEMBL1120618 cell-based format
CHEMBL1256786 OBDepict O N H OH OH N H CH 3 O H 3 C Ki = 2.6 nM 344.41 COc1ccc(CC(C)NCC(O)c2ccc(O)c(NC=O)c2)cc1 Homo sapiens CHEMBL876356 single protein format
CHEMBL1221637 OBDepict O S N H OH HO H HN CH 3 H Ki = 2.7 nM 380.47 C[C@@H](NC[C@H](O)c1ccc(O)c2[nH]c(=O)sc12)c1ccc2ccccc2c1 Homo sapiens CHEMBL1227592 single protein format
CHEMBL3800341 OBDepict CH 3 O O N H O HN HO O Ki = 2.8 nM 476.57 COc1cc(CCNCCc2ccc(O)c3c2OCC(=O)N3)ccc1OCCCc1ccccc1 Homo sapiens CHEMBL3801474 cell-based format
CHEMBL387852 OBDepict CH 3 O O O N H H 3 C H HO H O N Br Ki = 2.82 nM 427.3 CCOC(=O)COc1ccc(C[C@@H](C)NC[C@H](O)c2cc(Br)no2)cc1 Homo sapiens CHEMBL920283 cell-based format
CHEMBL4458797 OBDepict NH 2 O O NH O S O OH HN H 3 C CH 3 Ki = 2.9 nM 471.66 CC(C)NCC(O)COc1ccccc1CCCSCC(=O)NCCOCCOCCN Homo sapiens CHEMBL4312072 single protein format
CHEMBL1221861 OBDepict Cl S NH HO H S N OH O H Ki = 3.0 nM 396.92 O=c1[nH]c2c(O)ccc([C@@H](O)CNCCSc3ccc(Cl)cc3)c2s1 Homo sapiens CHEMBL1227592 single protein format
CHEMBL1084772 OBDepict OH N O N N H O O Ki = 3.0 nM 533.63 O=C1c2cccc3cccc(c23)C(=O)N1CC1CCN(CC(O)COc2cccc3[nH]c4ccccc4c23)CC1 Homo sapiens CHEMBL1120618 cell-based format
CHEMBL228998 OBDepict CH 3 O N H H 3 C H OH H OH HO IC50 = 3.16 nM 317.39 COc1ccc(C[C@@H](C)NC[C@@H](O)c2cc(O)cc(O)c2)cc1 Homo sapiens CHEMBL3887982 cell-based format
CHEMBL1094785 OBDepict CH 3 O HN CH 3 H OH H N HO H O Ki = 3.19 nM 368.43 COc1ccc(C[C@@H](C)NC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)cc1 Homo sapiens CHEMBL1115584 cell-based format
CHEMBL4542960 OBDepict OH O NH H 3 C CH 3 S HN O O O NH O O H 3 C CH 3 H 3 C Ki = 3.2 nM 571.78 CC(C)NCC(O)COc1ccccc1CCCSCC(=O)NCCOCCOCCNC(=O)OC(C)(C)C Homo sapiens CHEMBL4312072 single protein format
CHEMBL3323666 OBDepict H 3 C HN OH H S N OH O H Ki = 3.2 nM 372.49 CCCc1cccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)c1 Homo sapiens CHEMBL3378137 cell-based format
CHEMBL38486 OBDepict H 3 C O O O NH H 3 C H OH H Cl Ki = 3.2 nM 377.87 COC(=O)COc1ccc(C[C@@H](C)NC[C@H](O)c2cccc(Cl)c2)cc1 Homo sapiens CHEMBL652421 cell-based format
CHEMBL266195 OBDepict CH 2 O OH N H CH 3 H 3 C IC50 = 3.3 nM 249.35 C=CCc1ccccc1OCC(O)CNC(C)C Homo sapiens CHEMBL4312088 cell-based format
CHEMBL4451135 OBDepict CH 3 O O N H HO H N H Ki = 3.3 nM 376.46 COc1ccccc1OCCNC[C@H](O)c1cccc2[nH]c3ccccc3c12 Homo sapiens CHEMBL4397556 cell-based format
CHEMBL183948 OBDepict O N H OH OH H N H O O Ki = 3.3 nM 450.54 O=CNc1cc([C@@H](O)CNCCc2cccc(OCCCOc3ccccc3)c2)ccc1O Homo sapiens CHEMBL876356 single protein format
CHEMBL4463246 OBDepict NH 2 S S O O H 3 C N H HO H O Ki = 3.4 nM 502.7 COc1cc(CCNC[C@@H](O)COc2cccc3ccccc23)ccc1OCCSSCCN Homo sapiens CHEMBL4402768 cell-based format
CHEMBL4466532 OBDepict H 2 C O HO HN O O O O NH O O H 3 C H 3 C CH 3 Ki = 3.7 nM 526.67 C=CCc1ccccc1OCC(O)CNCCOCCOCCOCCOCCNC(=O)OC(C)(C)C Homo sapiens CHEMBL4312072 single protein format
CHEMBL393648 OBDepict H N O OH H N H Ki = 3.75 nM 288.39 O[C@@H](CNC1CCCCC1)COc1cccc2[nH]ccc12 Homo sapiens CHEMBL899656 single protein format
CHEMBL1221735 OBDepict O S N H HO HO H N H H H 3 C H CH 3 H 3 C Ki = 3.8 nM 362.5 CC1(C)[C@@H]2CC[C@@]1(C)[C@@H](NC[C@H](O)c1ccc(O)c3[nH]c(=O)sc13)C2 Homo sapiens CHEMBL1227592 single protein format
CHEMBL3323669 OBDepict CH 3 O HN OH H S N OH O H Ki = 3.9 nM 402.52 CCCCOc1ccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)cc1 Homo sapiens CHEMBL3378137 cell-based format
CHEMBL1800963 OBDepict CH 3 O N H CH 3 H HO H HO OH IC50 = 3.98 nM 367.45 COc1ccc(C[C@@H](C)NC[C@H](O)c2cc(O)cc(O)c2)c2ccccc12 Homo sapiens CHEMBL3887982 cell-based format
CHEMBL1258025 OBDepict OH O N H N N N S S Ki = 4.0 nM 466.63 OC(CNC1CCN(c2ncnc3scc(-c4cccs4)c23)CC1)COc1ccccc1 Homo sapiens CHEMBL1261323 cell-based format
CHEMBL82663 OBDepict HO S N HO N H S O O O Ki = 4.0 nM 464.61 O=S(=O)(CCCOCCc1ccccc1)CCNCCc1ccc(O)c2nc(O)sc12 Homo sapiens CHEMBL2091584 single protein format
CHEMBL1221736 OBDepict O S N H HO HO H N H Ki = 4.0 nM 376.52 O=c1[nH]c2c(O)ccc([C@@H](O)CNC3CCCC3C3CCCCC3)c2s1 Homo sapiens CHEMBL1227592 single protein format
CHEMBL3323657 OBDepict H 3 C CH 3 H H NH HO H S N OH O H Ki = 4.2 nM 336.46 CC(C)[C@H]1CCC[C@H]1NC[C@H](O)c1ccc(O)c2[nH]c(=O)sc12 Homo sapiens CHEMBL3378137 cell-based format
CHEMBL180672 OBDepict N O Cl HO H N H CH 3 CH 3 IC50 = 4.3 nM 408.93 CC(C)(Cc1ccc2ccccc2c1)NC[C@@H](O)COc1cccc(Cl)c1C#N Homo sapiens CHEMBL1052906 single protein format
CHEMBL1800934 OBDepict CH 3 O N H CH 3 H HO H HO OH IC50 = 4.37 nM 367.45 COc1ccc(C[C@H](C)NC[C@H](O)c2cc(O)cc(O)c2)c2ccccc12 Homo sapiens CHEMBL3887982 cell-based format
CHEMBL1221803 OBDepict O S N H OH OH H N H O Ki = 4.4 nM 346.41 O=c1[nH]c2c(O)ccc([C@@H](O)CNCCOc3ccccc3)c2s1 Homo sapiens CHEMBL1227592 single protein format
CHEMBL1257675 OBDepict CH 3 O OH O OH NH N N N S Ki = 4.9 nM 520.66 COCc1cc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)ccc1O Homo sapiens CHEMBL1261323 cell-based format
CHEMBL29141 OBDepict H 3 C N H OH S N OH OH Ki = 5.0 nM 240.28 CNCC(O)c1ccc(O)c2nc(O)sc12 Homo sapiens CHEMBL1227592 single protein format
CHEMBL4513932 OBDepict H 3 C O O N H O N H Ki = 5.4 nM 390.48 COc1ccccc1OCCNCCCOc1cccc2[nH]c3ccccc3c12 Homo sapiens CHEMBL4397556 cell-based format
CHEMBL3323659 OBDepict O S N H HO HO H HN H H Ki = 5.5 nM 370.47 O=c1[nH]c2c(O)ccc([C@@H](O)CN[C@@H]3CCC[C@@H]3c3ccccc3)c2s1 Homo sapiens CHEMBL3378137 cell-based format
CHEMBL363329 OBDepict O N H OH OH H N H O Ki = 5.9 nM 434.54 O=CNc1cc([C@@H](O)CNCCc2ccc(OCCCc3ccccc3)cc2)ccc1O Homo sapiens CHEMBL876356 single protein format
CHEMBL1257913 OBDepict OH O N H OH N N N S Ki = 6.0 nM 476.6 Oc1cccc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)c1 Homo sapiens CHEMBL1261323 cell-based format