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P09960 | LKHA4_HUMAN | Leukotriene A-4 hydrolase (LTA4H)

3D structures mapped by conservation among orthologs

[ Domain: "ARM repeat" // Leuk-A4-hydro_C ]

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[ Domain: "Metalloproteases ("zincins") catalytic domain" // Peptidase_M1_1 ]

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[ Domain: "Baculovirus p35 protein-related" // Peptidase_M1_2 ]

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[ Domain: pdbs with more than 2 multi-domains ]

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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
CHEMBL2207747 OBDepict H 3 C N H O N O N S N IC50 = 0.3 nM 422.55 CC(=O)NC1CC2CCC(C1)N2CCc1ccc(Oc2nc3ncccc3s2)cc1 Homo sapiens CHEMBL2212808 cell-based format
CHEMBL3931416 OBDepict CH 3 N O N N O N N H N IC50 = 0.44 nM 442.52 CCC(=O)N1CCN(Cc2cnc3cc(Oc4ccc(-c5ccn[nH]5)cn4)ccc3c2)CC1 Homo sapiens CHEMBL3888193 single protein format
CHEMBL119612 OBDepict CH 3 N O OH O O IC50 = 0.5 nM 405.49 CN(CCCOc1ccc(Oc2ccc(-c3ccccc3)cc2)cc1)CCC(=O)O Homo sapiens CHEMBL1772368 single protein format
CHEMBL3953799 OBDepict H 3 C CH 3 N O N N O N N H N IC50 = 0.54 nM 456.55 CC(C)C(=O)N1CCN(Cc2cnc3cc(Oc4ccc(-c5ccn[nH]5)cn4)ccc3c2)CC1 Homo sapiens CHEMBL3888193 single protein format
CHEMBL3910403 OBDepict CH 3 N O N N O N N H N IC50 = 0.6 nM 428.5 CC(=O)N1CCN(Cc2cnc3cc(Oc4ccc(-c5ccn[nH]5)cn4)ccc3c2)CC1 Homo sapiens CHEMBL3888193 single protein format
CHEMBL3980517 OBDepict OH N O N N O N N H N IC50 = 0.69 nM 444.5 O=C(CO)N1CCN(Cc2cnc3cc(Oc4ccc(-c5ccn[nH]5)cn4)ccc3c2)CC1 Homo sapiens CHEMBL3888193 single protein format
CHEMBL273570 OBDepict N N N N O IC50 = 0.8 nM 354.41 N#Cc1ccc2c(ncn2CCOc2ccc(Cc3ccccc3)cc2)n1 Homo sapiens CHEMBL706182 single protein format
CHEMBL4113328 OBDepict HO N O H N CH 3 N O N N H N IC50 = 0.88 nM 458.52 CN(Cc1cnc2cc(Oc3ccc(-c4ccn[nH]4)cn3)ccc2c1)[C@@H]1CCN(C(=O)CO)C1 Homo sapiens CHEMBL3888193 single protein format
CHEMBL3895554 OBDepict O N N N O N N H N IC50 = 0.93 nM 454.53 O=C(C1CC1)N1CCN(Cc2cnc3cc(Oc4ccc(-c5ccn[nH]5)cn4)ccc3c2)CC1 Homo sapiens CHEMBL3888193 single protein format
CHEMBL323686 OBDepict CH 3 N HN O O S O O IC50 = 1.0 nM 466.6 CN(CCCOc1ccc(Cc2ccccc2)cc1)CCC(=O)NS(=O)(=O)c1ccccc1 Homo sapiens CHEMBL706180 single protein format
CHEMBL481672 OBDepict HO O N H H H N H O N O IC50 = 1.0 nM 509.61 O=C(O)c1ccc(CCN2[C@H]3CC[C@@H]2C[C@H](Nc2ccc(Oc4ccc(-c5ncco5)cc4)cc2)C3)cc1 Homo sapiens CHEMBL990997 single protein format
CHEMBL2207751 OBDepict H 3 C N H O N O N S N IC50 = 1.0 nM 408.53 CC(=O)NC1CC2CCC(C1)N2Cc1ccc(Oc2nc3ncccc3s2)cc1 Homo sapiens CHEMBL2212808 cell-based format
CHEMBL3892382 OBDepict CH 3 N N N O CH 3 O N N H N IC50 = 1.1 nM 442.52 CC(=O)N1CC(CN(C)Cc2cnc3cc(Oc4ccc(-c5ccn[nH]5)cn4)ccc3c2)C1 Homo sapiens CHEMBL3888193 single protein format
CHEMBL3917039 OBDepict H N N N O N N N O HO H 3 C H IC50 = 1.1 nM 458.52 C[C@H](O)C(=O)N1CCN(Cc2cnc3cc(Oc4ccc(-c5ccn[nH]5)cn4)ccc3c2)CC1 Homo sapiens CHEMBL3888193 single protein format
CHEMBL3889572 OBDepict HO N O H N CH 3 N O N N H N IC50 = 1.3 nM 458.52 CN(Cc1cnc2cc(Oc3ccc(-c4ccn[nH]4)cn3)ccc2c1)[C@H]1CCN(C(=O)CO)C1 Homo sapiens CHEMBL3888193 single protein format
CHEMBL119683 OBDepict CH 3 N N H O O S O O CH 3 IC50 = 1.3 nM 404.53 CN(CCCOc1ccc(Cc2ccccc2)cc1)CCC(=O)NS(C)(=O)=O Homo sapiens CHEMBL706180 single protein format
CHEMBL117549 OBDepict OH O NH O IC50 = 1.3 nM 313.4 O=C(O)CNCCCCOc1ccc(Cc2ccccc2)cc1 Homo sapiens CHEMBL706180 single protein format
CHEMBL576512 OBDepict HN N O IC50 = 1.4 nM 254.33 c1ccc(Oc2ccc(N3CCNCC3)cc2)cc1 Homo sapiens CHEMBL1046154 single protein format
CHEMBL3979012 OBDepict H 3 C O N O N N O N N H N IC50 = 1.4 nM 458.52 COCC(=O)N1CCN(Cc2cnc3cc(Oc4ccc(-c5ccn[nH]5)cn4)ccc3c2)CC1 Homo sapiens CHEMBL3888193 single protein format
CHEMBL3978522 OBDepict H 3 C N CH 3 O N N O N N H N IC50 = 1.5 nM 456.55 CN(C)C(=O)C1CCN(Cc2cnc3cc(Oc4ccc(-c5ccn[nH]5)cn4)ccc3c2)CC1 Homo sapiens CHEMBL3888193 single protein format
CHEMBL514699 OBDepict OH O N O OH NH 2 H O Ki = 1.6 nM 400.48 N[C@@H](Cc1ccc(OCc2ccccc2)cc1)CN(O)C(=O)CCCCC(=O)O Homo sapiens CHEMBL980376 single protein format
CHEMBL2313573 OBDepict CH 3 HN O H H N H O O N S N IC50 = 1.6 nM 448.55 CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2Cc1coc2cc(Oc3nc4ncccc4s3)ccc12 Homo sapiens CHEMBL2320478 cell-based format
CHEMBL3908055 OBDepict H N N N O N N N O HO H 3 C CH 3 IC50 = 1.6 nM 472.55 CC(C)(O)C(=O)N1CCN(Cc2cnc3cc(Oc4ccc(-c5ccn[nH]5)cn4)ccc3c2)CC1 Homo sapiens CHEMBL3888193 single protein format
CHEMBL4112032 OBDepict H N N N O N N H HO IC50 = 1.7 nM 387.44 O[C@@H]1CCN(Cc2cnc3cc(Oc4ccc(-c5ccn[nH]5)cn4)ccc3c2)C1 Homo sapiens CHEMBL3888193 single protein format
CHEMBL3970210 OBDepict H N N N O N N N O H 3 C CH 3 H 3 C IC50 = 1.7 nM 470.58 CC(C)(C)C(=O)N1CCN(Cc2cnc3cc(Oc4ccc(-c5ccn[nH]5)cn4)ccc3c2)CC1 Homo sapiens CHEMBL3888193 single protein format
CHEMBL4113365 OBDepict HO N O CH 3 H N N O N N H N IC50 = 1.8 nM 458.52 CN(C(=O)CO)[C@@H]1CCN(Cc2cnc3cc(Oc4ccc(-c5ccn[nH]5)cn4)ccc3c2)C1 Homo sapiens CHEMBL3888193 single protein format
CHEMBL3974103 OBDepict O O N N N O N N H N IC50 = 1.9 nM 470.53 O=C1OCCN1C1CCN(Cc2cnc3cc(Oc4ccc(-c5ccn[nH]5)cn4)ccc3c2)CC1 Homo sapiens CHEMBL3888193 single protein format
CHEMBL516603 OBDepict HO O N N H O N O IC50 = 2.0 nM 483.57 O=C(O)c1ccc(CCN2CCCC(Nc3ccc(Oc4ccc(-c5ncco5)cc4)cc3)C2)cc1 Homo sapiens CHEMBL990997 single protein format
CHEMBL326601 OBDepict H 3 C N O OH O S IC50 = 2.0 nM 333.45 CN(CCCOc1ccc(Cc2ccsc2)cc1)CCC(=O)O Homo sapiens CHEMBL706180 single protein format
CHEMBL3902086 OBDepict H N N N O N N CH 3 OH IC50 = 2.4 nM 387.44 CC1(O)CN(Cc2cnc3cc(Oc4ccc(-c5ccn[nH]5)cn4)ccc3c2)C1 Homo sapiens CHEMBL3888193 single protein format
CHEMBL112671 OBDepict CH 3 N O HO O IC50 = 2.5 nM 327.42 CN(CCCOc1ccc(Cc2ccccc2)cc1)CCC(=O)O Homo sapiens CHEMBL706183 single protein format
CHEMBL543405 OBDepict CH 3 N O HO O ClH IC50 = 2.5 nM 363.89 CN(CCCOc1ccc(Cc2ccccc2)cc1)CCC(=O)O.Cl Homo sapiens CHEMBL706180 single protein format
CHEMBL3906966 OBDepict H N N N O N N H HO IC50 = 2.5 nM 387.44 O[C@H]1CCN(Cc2cnc3cc(Oc4ccc(-c5ccn[nH]5)cn4)ccc3c2)C1 Homo sapiens CHEMBL3888193 single protein format
CHEMBL3914143 OBDepict HO N O CH 3 H N N O N N H N IC50 = 2.6 nM 458.52 CN(C(=O)CO)[C@H]1CCN(Cc2cnc3cc(Oc4ccc(-c5ccn[nH]5)cn4)ccc3c2)C1 Homo sapiens CHEMBL3888193 single protein format
CHEMBL3903147 OBDepict O N H HO N N O N N H N IC50 = 2.6 nM 484.56 O=C1[C@@H](O)CCN1C1CCN(Cc2cnc3cc(Oc4ccc(-c5ccn[nH]5)cn4)ccc3c2)CC1 Homo sapiens CHEMBL3888193 single protein format
CHEMBL112671 OBDepict CH 3 N O HO O Ki = 3.0 nM 327.42 CN(CCCOc1ccc(Cc2ccccc2)cc1)CCC(=O)O Homo sapiens CHEMBL3861354 single protein format
CHEMBL519600 OBDepict CH 3 N N H O N CH 3 O OH IC50 = 3.0 nM 459.59 CN(CCCN(C)Cc1ccc(C(=O)O)cc1)CC(=O)Nc1ccc(Cc2ccccc2)cc1 Homo sapiens CHEMBL987428 single protein format
CHEMBL480334 OBDepict HO O N H H H NH IC50 = 3.0 nM 426.56 O=C(O)c1ccc(CN2[C@H]3CC[C@@H]2C[C@H](Nc2ccc(Cc4ccccc4)cc2)C3)cc1 Homo sapiens CHEMBL990997 single protein format
CHEMBL479360 OBDepict H 3 C N N H O OH O N O IC50 = 3.0 nM 457.53 CN(CCCNc1ccc(Oc2ccc(-c3ncco3)cc2)cc1)Cc1ccc(C(=O)O)cc1 Homo sapiens CHEMBL990997 single protein format
CHEMBL2207749 OBDepict H 3 C N O N O N S N IC50 = 3.0 nM 394.5 CC(=O)N1CC2CN(Cc3ccc(Oc4nc5ncccc5s4)cc3)CC2C1 Homo sapiens CHEMBL2212808 cell-based format
CHEMBL2207742 OBDepict N O S N N IC50 = 3.0 nM 339.46 c1cnc2nc(Oc3ccc(CCN4CCCCC4)cc3)sc2c1 Homo sapiens CHEMBL2212808 cell-based format
CHEMBL479561 OBDepict CH 3 N HN O N CH 3 O O OH IC50 = 3.0 nM 475.59 CN(CCCN(C)CC(=O)Nc1ccc(Oc2ccccc2)cc1)CCc1ccc(C(=O)O)cc1 Homo sapiens CHEMBL987428 single protein format
CHEMBL4871560 OBDepict HO O NH 2 H N N N N O N Cl IC50 = 3.0 nM 374.79 N[C@H](CC(=O)O)Cn1nnc(-c2ccc(Oc3ccc(Cl)cn3)cc2)n1 Homo sapiens CHEMBL4834652 cell-based format
CHEMBL479378 OBDepict OH O N N H O N O IC50 = 3.0 nM 483.57 O=C(O)c1ccc(CCN2CCC(Nc3ccc(Oc4ccc(-c5ncco5)cc4)cc3)CC2)cc1 Homo sapiens CHEMBL990997 single protein format
CHEMBL2207730 OBDepict N O N S N IC50 = 3.0 nM 325.44 c1cnc2nc(Oc3ccc(CN4CCCCC4)cc3)sc2c1 Homo sapiens CHEMBL2212808 cell-based format
CHEMBL86211 OBDepict OH HN O H N O H 3 C H 3 C H O HO IC50 = 3.0 nM 308.33 C[C@@H](C(=O)O)N(C)C(=O)[C@@H](CC(=O)NO)Cc1ccccc1 Homo sapiens CHEMBL706181 single protein format
CHEMBL4859847 OBDepict HO O NH 2 H N N N N O Cl IC50 = 3.0 nM 373.8 N[C@@H](CC(=O)O)Cn1nnc(-c2ccc(Oc3ccc(Cl)cc3)cc2)n1 Homo sapiens CHEMBL4834652 cell-based format
CHEMBL4847272 OBDepict HO O NH 2 H N N N N O N O IC50 = 3.1 nM 406.4 N[C@H](CC(=O)O)Cn1nnc(-c2ccc(Oc3ccc(-c4ncco4)cc3)cc2)n1 Homo sapiens CHEMBL4834652 cell-based format
CHEMBL4871711 OBDepict OH O H 2 N H N N N N O N F Cl IC50 = 3.5 nM 392.78 N[C@H](CC(=O)O)Cn1nnc(-c2ccc(Oc3ncc(Cl)cc3F)cc2)n1 Homo sapiens CHEMBL4834652 cell-based format
CHEMBL3894486 OBDepict HO N O CH 3 N N O N N H N IC50 = 3.5 nM 472.55 CN(C(=O)CO)C1CCN(Cc2cnc3cc(Oc4ccc(-c5ccn[nH]5)cn4)ccc3c2)CC1 Homo sapiens CHEMBL3888193 single protein format
CHEMBL4851581 OBDepict NH 2 N N N N O H 3 C IC50 = 3.6 nM 295.35 Cc1ccc(Oc2ccc(-c3nnn(CCN)n3)cc2)cc1 Homo sapiens CHEMBL4834652 cell-based format
CHEMBL3926577 OBDepict OH N N O N N H N IC50 = 3.7 nM 401.47 OC1CCN(Cc2cnc3cc(Oc4ccc(-c5ccn[nH]5)cn4)ccc3c2)CC1 Homo sapiens CHEMBL3888193 single protein format
CHEMBL2313569 OBDepict CH 3 HN O N O O N S N IC50 = 3.7 nM 422.51 CC(=O)NC1CCN(Cc2coc3cc(Oc4nc5ncccc5s4)ccc23)CC1 Homo sapiens CHEMBL2320478 cell-based format
CHEMBL421048 OBDepict CH 3 N S O O NH 2 O IC50 = 4.0 nM 362.5 CN(CCCOc1ccc(Cc2ccccc2)cc1)CCS(N)(=O)=O Homo sapiens CHEMBL706180 single protein format
CHEMBL481171 OBDepict HO O N H H H HN O N IC50 = 4.0 nM 493.61 O=C(O)c1ccc(CN2[C@H]3CC[C@@H]2C[C@H](Nc2ccc(Oc4ccc(-n5cccc5)cc4)cc2)C3)cc1 Homo sapiens CHEMBL990997 single protein format
CHEMBL3912168 OBDepict OH N N O N N H N IC50 = 4.0 nM 373.42 OC1CN(Cc2cnc3cc(Oc4ccc(-c5ccn[nH]5)cn4)ccc3c2)C1 Homo sapiens CHEMBL3888193 single protein format
CHEMBL520414 OBDepict CH 3 N NH O N CH 3 O N N N H N IC50 = 4.0 nM 485.59 CN(CCCN(C)Cc1ccc(-c2nnn[nH]2)cc1)CC(=O)Nc1ccc(Oc2ccccc2)cc1 Homo sapiens CHEMBL987428 single protein format
CHEMBL482254 OBDepict N O O N O IC50 = 4.0 nM 352.43 c1ccc2oc(Oc3ccc(OCCN4CCCCCC4)cc3)nc2c1 Homo sapiens CHEMBL990976 single protein format
CHEMBL2207741 OBDepict H 3 C NH O N O O N S N IC50 = 4.0 nM 438.55 CC(=O)NC1CC2CCC(C1)N2CCOc1ccc(Oc2nc3ncccc3s2)cc1 Homo sapiens CHEMBL2212808 cell-based format
CHEMBL4879150 OBDepict H 2 N N N N N O Cl IC50 = 4.0 nM 315.76 NCCn1nnc(-c2ccc(Oc3ccc(Cl)cc3)cc2)n1 Homo sapiens CHEMBL4834652 cell-based format
CHEMBL578345 OBDepict H N H O S IC50 = 4.0 nM 349.5 c1cc(-c2ccc(Cc3ccc(OC[C@H]4CCCN4)cc3)cc2)cs1 Homo sapiens CHEMBL1046154 single protein format
CHEMBL4849465 OBDepict CH 3 O N N N N NH 2 H O OH IC50 = 4.4 nM 333.39 CCCCCOc1ccc(-c2nnn(C[C@H](N)CC(=O)O)n2)cc1 Homo sapiens CHEMBL4834652 cell-based format
CHEMBL4559677 OBDepict H N H CH 3 O OH O P O OH H 2 N CH 3 H Ki = 4.6 nM 306.3 C[C@H](NC(=O)C1(CP(=O)(O)[C@H](C)N)CCCC1)C(=O)O Homo sapiens CHEMBL4321136 single protein format
CHEMBL2313563 OBDepict N O O N S N IC50 = 4.6 nM 365.46 c1cnc2nc(Oc3ccc4c(CN5CCCCC5)coc4c3)sc2c1 Homo sapiens CHEMBL2320478 cell-based format
CHEMBL119545 OBDepict CH 3 N O HO O S IC50 = 4.7 nM 333.45 CN(CCCOc1ccc(Cc2cccs2)cc1)CCC(=O)O Homo sapiens CHEMBL706180 single protein format
CHEMBL481671 OBDepict HO O N H H H HN O N O IC50 = 5.0 nM 495.58 O=C(O)c1ccc(CN2[C@H]3CC[C@@H]2C[C@H](Nc2ccc(Oc4ccc(-c5ncco5)cc4)cc2)C3)cc1 Homo sapiens CHEMBL990997 single protein format
CHEMBL315255 OBDepict OH NH O H N H O CH 3 H O OH IC50 = 5.0 nM 300.36 C[C@H](NC(=O)[C@@H](CC(=O)NO)CC1CCCCC1)C(=O)O Homo sapiens CHEMBL706181 single protein format
CHEMBL1770402 OBDepict OH O N NH O IC50 = 5.0 nM 518.66 O=C(O)c1ccc(CN2CC3CCCC2C(Nc2ccc(Oc4ccc(-c5ccccc5)cc4)cc2)C3)cc1 Homo sapiens CHEMBL1772368 single protein format
CHEMBL480949 OBDepict H HN H N H O O HO IC50 = 5.0 nM 504.63 O=C(O)c1ccc(CN2[C@H]3CC[C@@H]2C[C@H](Nc2ccc(Oc4ccc(-c5ccccc5)cc4)cc2)C3)cc1 Homo sapiens CHEMBL990997 single protein format
CHEMBL470755 OBDepict CH 3 N N H O N CH 3 O O OH N O IC50 = 5.0 nM 528.61 CN(CCCN(C)Cc1ccc(C(=O)O)cc1)CC(=O)Nc1ccc(Oc2ccc(-c3ncco3)cc2)cc1 Homo sapiens CHEMBL987428 single protein format
CHEMBL479568 OBDepict HO O N NH O N O IC50 = 5.0 nM 483.57 O=C(O)c1ccc(CN2CCC(CNc3ccc(Oc4ccc(-c5ncco5)cc4)cc3)CC2)cc1 Homo sapiens CHEMBL990997 single protein format
CHEMBL2207750 OBDepict H 3 C N O N O N S N IC50 = 5.0 nM 380.47 CC(=O)N1CC2CC1CN2Cc1ccc(Oc2nc3ncccc3s2)cc1 Homo sapiens CHEMBL2212808 cell-based format
CHEMBL85320 OBDepict OH NH O H N H O CH 3 H O OH IC50 = 5.0 nM 294.31 C[C@H](NC(=O)[C@@H](CC(=O)NO)Cc1ccccc1)C(=O)O Homo sapiens CHEMBL706181 single protein format
CHEMBL4543986 OBDepict CH 3 N O P NH O O OH H 2 N CH 3 H CH 3 H O HO Ki = 5.3 nM 363.35 CC(=O)N1CCC(CP(=O)(O)[C@H](C)N)(C(=O)N[C@@H](C)C(=O)O)CC1 Homo sapiens CHEMBL4321136 single protein format
CHEMBL481674 OBDepict CH 3 N N H O N CH 3 O O OH IC50 = 6.0 nM 461.56 CN(CCCN(C)Cc1ccc(C(=O)O)cc1)CC(=O)Nc1ccc(Oc2ccccc2)cc1 Homo sapiens CHEMBL987428 single protein format
CHEMBL478298 OBDepict H H 2 N O HO N H O O IC50 = 6.0 nM 328.37 N[C@@H](CCC(=O)Nc1ccc(Oc2ccccc2)cc1)CC(=O)O Homo sapiens CHEMBL980376 single protein format
CHEMBL480724 OBDepict CH 3 N N H O N CH 3 O O OH F IC50 = 6.0 nM 479.55 CN(CCCN(C)Cc1ccc(C(=O)O)cc1)CC(=O)Nc1ccc(Oc2ccc(F)cc2)cc1 Homo sapiens CHEMBL987428 single protein format
CHEMBL2207748 OBDepict O N N O N S N IC50 = 6.0 nM 408.53 O=C1CCCN1C1CCN(Cc2ccc(Oc3nc4ncccc4s3)cc2)CC1 Homo sapiens CHEMBL2212808 cell-based format
CHEMBL2207745 OBDepict H 3 C N O N O N S N IC50 = 6.0 nM 408.53 CC(=O)N1CC2CN(CCc3ccc(Oc4nc5ncccc5s4)cc3)CC2C1 Homo sapiens CHEMBL2212808 cell-based format
CHEMBL2207738 OBDepict O N N O O N S N IC50 = 6.0 nM 438.55 O=C1CCCN1C1CCN(CCOc2ccc(Oc3nc4ncccc4s3)cc2)CC1 Homo sapiens CHEMBL2212808 cell-based format
CHEMBL2207752 OBDepict NH 2 O N O N S N IC50 = 6.0 nM 368.46 NC(=O)C1CCN(Cc2ccc(Oc3nc4ncccc4s3)cc2)CC1 Homo sapiens CHEMBL2212808 cell-based format
CHEMBL518156 OBDepict OH N O O N O IC50 = 6.0 nM 430.5 OC1(c2ccccc2)CCN(CCOc2ccc(Oc3nc4ccccc4o3)cc2)CC1 Homo sapiens CHEMBL990976 single protein format
CHEMBL479973 OBDepict CH 3 N N H O N CH 3 O F O OH IC50 = 6.0 nM 479.55 CN(CCCN(C)Cc1ccc(C(=O)O)c(F)c1)CC(=O)Nc1ccc(Oc2ccccc2)cc1 Homo sapiens CHEMBL987428 single protein format
CHEMBL471954 OBDepict F O NH H H N H O HO IC50 = 6.0 nM 446.52 O=C(O)c1ccc(CN2[C@H]3CC[C@@H]2C[C@H](Nc2ccc(Oc4ccccc4F)cc2)C3)cc1 Homo sapiens CHEMBL990997 single protein format
CHEMBL163478 OBDepict CH 3 N CH 3 O IC50 = 6.0 nM 255.36 CN(C)CCOc1ccc(Cc2ccccc2)cc1 Homo sapiens CHEMBL879999 single protein format
CHEMBL480347 OBDepict Cl O NH H H N H O HO IC50 = 6.0 nM 462.98 O=C(O)c1ccc(CN2[C@H]3CC[C@@H]2C[C@H](Nc2ccc(Oc4ccc(Cl)cc4)cc2)C3)cc1 Homo sapiens CHEMBL990997 single protein format
CHEMBL162432 OBDepict N O O IC50 = 6.6 nM 359.47 c1ccc(-c2ccc(Oc3ccc(OCCN4CCCC4)cc3)cc2)cc1 Homo sapiens CHEMBL879999 single protein format
CHEMBL479956 OBDepict HO O N N H O N O IC50 = 7.0 nM 455.51 O=C(O)c1ccc(CN2CCC(Nc3ccc(Oc4ccc(-c5ncco5)cc4)cc3)C2)cc1 Homo sapiens CHEMBL990997 single protein format
CHEMBL117654 OBDepict CH 3 N O H 2 N O IC50 = 7.0 nM 326.44 CN(CCCOc1ccc(Cc2ccccc2)cc1)CCC(N)=O Homo sapiens CHEMBL706180 single protein format
CHEMBL119814 OBDepict CH 3 O O N H O IC50 = 7.0 nM 355.48 CCOC(=O)CCNCCCCOc1ccc(Cc2ccccc2)cc1 Homo sapiens CHEMBL706180 single protein format
CHEMBL479552 OBDepict CH 3 N H 3 C H 3 C N CH 3 O OH N H O O IC50 = 7.0 nM 489.62 CN(CC(=O)Nc1ccc(Oc2ccccc2)cc1)CC(C)(C)CN(C)Cc1ccc(C(=O)O)cc1 Homo sapiens CHEMBL987428 single protein format
CHEMBL2313266 OBDepict CH 3 N O N O O N S N IC50 = 7.0 nM 420.49 CC(=O)N1CC2CC1CN2Cc1cc2cc(Oc3nc4ncccc4s3)ccc2o1 Homo sapiens CHEMBL2320478 cell-based format
CHEMBL2207739 OBDepict CH 3 N O N O O N S N IC50 = 7.0 nM 424.53 CC(=O)N1CC2CN(CCOc3ccc(Oc4nc5ncccc5s4)cc3)CC2C1 Homo sapiens CHEMBL2212808 cell-based format
CHEMBL2207740 OBDepict CH 3 N O N O O N S N IC50 = 7.0 nM 410.5 CC(=O)N1CC2CC1CN2CCOc1ccc(Oc2nc3ncccc3s2)cc1 Homo sapiens CHEMBL2212808 cell-based format
CHEMBL480719 OBDepict H 3 C N H N N H O O O HO IC50 = 7.0 nM 473.57 CN(CC(=O)Nc1ccc(Oc2ccccc2)cc1)C[C@H]1CCCN1Cc1ccc(C(=O)O)cc1 Homo sapiens CHEMBL987428 single protein format
CHEMBL479958 OBDepict N O O N O IC50 = 7.0 nM 324.38 c1ccc2oc(Oc3ccc(OCCN4CCCC4)cc3)nc2c1 Homo sapiens CHEMBL990976 single protein format
CHEMBL163178 OBDepict N O N IC50 = 7.0 nM 282.39 c1ccc(Cc2ccc(OCCN3CCCC3)nc2)cc1 Homo sapiens CHEMBL879999 single protein format
CHEMBL479402 OBDepict CH 3 N N H O N CH 3 O F O OH IC50 = 7.0 nM 479.55 CN(CCCN(C)Cc1ccc(C(=O)O)cc1F)CC(=O)Nc1ccc(Oc2ccccc2)cc1 Homo sapiens CHEMBL987428 single protein format
CHEMBL2313572 OBDepict CH 3 HN O H H N H O O N S IC50 = 7.3 nM 447.56 CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2Cc1coc2cc(Oc3nc4ccccc4s3)ccc12 Homo sapiens CHEMBL2320478 cell-based format
CHEMBL2313265 OBDepict H 3 C N O H H N O O N S N IC50 = 7.3 nM 420.49 CC(=O)N1C[C@@H]2C[C@H]1CN2Cc1coc2cc(Oc3nc4ncccc4s3)ccc12 Homo sapiens CHEMBL2320478 cell-based format