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Q9UM47 | NOTC3_HUMAN | Neurogenic locus notch homolog protein 3 (NOTCH3)

3D structures mapped by conservation among orthologs

[ Domain: "Notch heterodimerization domain" // NOD ]

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[ Domain: "Lin12/Notch repeat" // Notch ]

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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

molecule_chembl_id structure assay_type relation values units mol_wt smiles organism assay_chembl_id bao_label
CHEMBL3410162 OBDepict CH 3 H H O H 2 N N H O H N F F F O N CH 3 IC50 = 1.0 nM 550.58 Cc1cccc([C@H](C(N)=O)[C@@H](CCC(F)(F)F)C(=O)N[C@H]2N=C(c3ccccc3)c3ccccc3N(C)C2=O)c1 Homo sapiens CHEMBL3412051 cell-based format
CHEMBL3410169 OBDepict F F H H O H 2 N N H O H N F F F O N CH 3 IC50 = 1.0 nM 572.53 CN1C(=O)[C@@H](NC(=O)[C@H](CCC(F)(F)F)[C@@H](C(N)=O)c2ccc(F)cc2F)N=C(c2ccccc2)c2ccccc21 Homo sapiens CHEMBL3412051 cell-based format
CHEMBL3410167 OBDepict F H H O H 2 N NH O H N F F F O N H 3 C IC50 = 1.0 nM 554.54 CN1C(=O)[C@@H](NC(=O)[C@H](CCC(F)(F)F)[C@@H](C(N)=O)c2ccc(F)cc2)N=C(c2ccccc2)c2ccccc21 Homo sapiens CHEMBL3412051 cell-based format
CHEMBL3410153 OBDepict H 3 C H H 3 C H O NH 2 HN O H N F F F O N CH 3 IC50 = 1.0 nM 530.59 CCC(CC)[C@H](C(N)=O)[C@@H](CCC(F)(F)F)C(=O)N[C@H]1N=C(c2ccccc2)c2ccccc2N(C)C1=O Homo sapiens CHEMBL3412051 cell-based format
CHEMBL3410168 OBDepict F F H H O H 2 N N H O H N F F F O N CH 3 IC50 = 2.0 nM 572.53 CN1C(=O)[C@@H](NC(=O)[C@H](CCC(F)(F)F)[C@@H](C(N)=O)c2ccc(F)c(F)c2)N=C(c2ccccc2)c2ccccc21 Homo sapiens CHEMBL3412051 cell-based format
CHEMBL3410170 OBDepict F F H H O NH 2 N H O H N F F F O N H 3 C IC50 = 2.0 nM 572.53 CN1C(=O)[C@@H](NC(=O)[C@H](CCC(F)(F)F)[C@@H](C(N)=O)c2cc(F)cc(F)c2)N=C(c2ccccc2)c2ccccc21 Homo sapiens CHEMBL3412051 cell-based format
CHEMBL3922868 OBDepict O NH H H H N O NH 2 O HN F F F F F F IC50 = 2.1 nM 582.55 NC(=O)[C@@H](CCC(F)(F)F)[C@@H](CCC(F)(F)F)C(=O)N[C@H]1N=C(c2ccccc2)c2cccc(C3CC3)c2NC1=O Homo sapiens CHEMBL3888077 single protein format
CHEMBL3971963 OBDepict CH 3 N H N H HN O O H H O H 2 N F F F F F F IC50 = 3.0 nM 556.51 Cc1ccc(C2=N[C@H](NC(=O)[C@H](CCC(F)(F)F)[C@H](CCC(F)(F)F)C(N)=O)C(=O)Nc3ccccc32)cc1 Homo sapiens CHEMBL3888077 single protein format
CHEMBL3410160 OBDepict CH 3 N O H N NH O H H O H 2 N O CH 3 N F F F IC50 = 3.0 nM 541.53 Cc1nocc1[C@H](C(N)=O)[C@@H](CCC(F)(F)F)C(=O)N[C@H]1N=C(c2ccccc2)c2ccccc2N(C)C1=O Homo sapiens CHEMBL3412051 cell-based format
CHEMBL3410151 OBDepict CH 3 H CH 3 H O H 2 N N H O CH 3 CH 3 H N O N H 3 C IC50 = 3.0 nM 490.65 CCC(CC)[C@H](C(N)=O)[C@@H](CC(C)C)C(=O)N[C@H]1N=C(c2ccccc2)c2ccccc2N(C)C1=O Homo sapiens CHEMBL3412051 cell-based format
CHEMBL3410152 OBDepict CH 3 H CH 3 H O H 2 N NH O CH 3 CH 3 CH 3 H N O N H 3 C IC50 = 3.0 nM 504.68 CCC(CC)[C@H](C(N)=O)[C@@H](CC(C)(C)C)C(=O)N[C@H]1N=C(c2ccccc2)c2ccccc2N(C)C1=O Homo sapiens CHEMBL3412051 cell-based format
CHEMBL3984723 OBDepict CH 3 N H N H NH O O CH 3 CH 3 H H O NH 2 F F F F F F IC50 = 3.2 nM 598.59 Cc1cccc(C2=N[C@H](NC(=O)[C@H](CCC(F)(F)F)[C@H](CCC(F)(F)F)C(N)=O)C(=O)Nc3c2cccc3C(C)C)c1 Homo sapiens CHEMBL3888077 single protein format
CHEMBL3410161 OBDepict H 3 C N O H N N H O H H O NH 2 F F F IC50 = 4.0 nM 536.55 CN1C(=O)[C@@H](NC(=O)[C@H](CCC(F)(F)F)[C@@H](C(N)=O)c2ccccc2)N=C(c2ccccc2)c2ccccc21 Homo sapiens CHEMBL3412051 cell-based format
CHEMBL3985392 OBDepict O HN H H H N O H 2 N O NH F F F F F F O IC50 = 4.0 nM 598.54 NC(=O)[C@@H](CCC(F)(F)F)[C@@H](CCC(F)(F)F)C(=O)N[C@H]1N=C(c2ccccc2)c2cccc(OC3CC3)c2NC1=O Homo sapiens CHEMBL3888077 single protein format
CHEMBL3960841 OBDepict OH N H N H HN O O H H O NH 2 F F F F F F IC50 = 4.2 nM 572.51 NC(=O)[C@@H](CCC(F)(F)F)[C@@H](CCC(F)(F)F)C(=O)N[C@H]1N=C(c2ccc(CO)cc2)c2ccccc2NC1=O Homo sapiens CHEMBL3888077 single protein format
CHEMBL3891599 OBDepict Cl N H HN HN O H 3 C O H H O H 2 N F F F F F F IC50 = 4.4 nM 590.95 Cc1cccc2c1NC(=O)[C@@H](NC(=O)[C@H](CCC(F)(F)F)[C@H](CCC(F)(F)F)C(N)=O)N=C2c1cccc(Cl)c1 Homo sapiens CHEMBL3888077 single protein format
CHEMBL3985584 OBDepict CH 3 NH O N H N H O H 3 C H H O NH 2 F F F F F F IC50 = 4.5 nM 584.56 CCc1cccc2c1NC(=O)[C@@H](NC(=O)[C@H](CCC(F)(F)F)[C@H](CCC(F)(F)F)C(N)=O)N=C2c1cccc(C)c1 Homo sapiens CHEMBL3888077 single protein format
CHEMBL3984170 OBDepict CH 3 N H N H HN O O H H O H 2 N F F F F F F IC50 = 4.6 nM 556.51 Cc1ccccc1C1=N[C@H](NC(=O)[C@H](CCC(F)(F)F)[C@H](CCC(F)(F)F)C(N)=O)C(=O)Nc2ccccc21 Homo sapiens CHEMBL3888077 single protein format
CHEMBL3983707 OBDepict CH 3 CH 3 NH O N H N H O H H O NH 2 F F F F F F IC50 = 4.9 nM 584.56 CC(C)c1cccc2c1NC(=O)[C@@H](NC(=O)[C@H](CCC(F)(F)F)[C@H](CCC(F)(F)F)C(N)=O)N=C2c1ccccc1 Homo sapiens CHEMBL3888077 single protein format
CHEMBL3895390 OBDepict CH 3 O NH O N H N H O H 3 C H H O NH 2 F F F F F F IC50 = 5.7 nM 586.53 COc1cccc2c1NC(=O)[C@@H](NC(=O)[C@H](CCC(F)(F)F)[C@H](CCC(F)(F)F)C(N)=O)N=C2c1cccc(C)c1 Homo sapiens CHEMBL3888077 single protein format
CHEMBL3410166 OBDepict H 3 C O H H O NH 2 N H O H N F F F O N H 3 C IC50 = 6.0 nM 566.58 COc1ccc([C@H](C(N)=O)[C@@H](CCC(F)(F)F)C(=O)N[C@H]2N=C(c3ccccc3)c3ccccc3N(C)C2=O)cc1 Homo sapiens CHEMBL3412051 cell-based format
CHEMBL3955547 OBDepict CH 3 N H N H HN O O H H O H 2 N F F F F F F IC50 = 6.1 nM 556.51 Cc1cccc(C2=N[C@H](NC(=O)[C@H](CCC(F)(F)F)[C@H](CCC(F)(F)F)C(N)=O)C(=O)Nc3ccccc32)c1 Homo sapiens CHEMBL3888077 single protein format
CHEMBL3919904 OBDepict CH 3 N H N H HN O Cl O H H O H 2 N F F F F F F IC50 = 6.1 nM 590.95 Cc1ccccc1C1=N[C@H](NC(=O)[C@H](CCC(F)(F)F)[C@H](CCC(F)(F)F)C(N)=O)C(=O)Nc2c(Cl)cccc21 Homo sapiens CHEMBL3888077 single protein format
CHEMBL3938447 OBDepict F N H NH NH O CH 3 O H H O H 2 N F F F F F F IC50 = 6.3 nM 574.5 Cc1cccc2c1NC(=O)[C@@H](NC(=O)[C@H](CCC(F)(F)F)[C@H](CCC(F)(F)F)C(N)=O)N=C2c1ccc(F)cc1 Homo sapiens CHEMBL3888077 single protein format
CHEMBL3944272 OBDepict CH 3 N H N H HN O Cl O H H O H 2 N F F F F F F IC50 = 7.2 nM 590.95 Cc1cccc(C2=N[C@H](NC(=O)[C@H](CCC(F)(F)F)[C@H](CCC(F)(F)F)C(N)=O)C(=O)Nc3c(Cl)cccc32)c1 Homo sapiens CHEMBL3888077 single protein format
CHEMBL3950601 OBDepict CH 3 NH O N H N H O H H O NH 2 F F F F F F IC50 = 8.3 nM 556.51 Cc1cccc2c1NC(=O)[C@@H](NC(=O)[C@H](CCC(F)(F)F)[C@H](CCC(F)(F)F)C(N)=O)N=C2c1ccccc1 Homo sapiens CHEMBL3888077 single protein format
CHEMBL3911164 OBDepict F N H HN HN O H 3 C O H H O H 2 N F F F F F F IC50 = 8.5 nM 574.5 Cc1cccc2c1NC(=O)[C@@H](NC(=O)[C@H](CCC(F)(F)F)[C@H](CCC(F)(F)F)C(N)=O)N=C2c1cccc(F)c1 Homo sapiens CHEMBL3888077 single protein format
CHEMBL3903119 OBDepict HO HN O N H HN O F H H O NH 2 F F F F F F IC50 = 9.3 nM 590.5 NC(=O)[C@@H](CCC(F)(F)F)[C@@H](CCC(F)(F)F)C(=O)N[C@H]1N=C(c2cccc(F)c2)c2cccc(CO)c2NC1=O Homo sapiens CHEMBL3888077 single protein format
CHEMBL3410154 OBDepict H 3 C H H O NH 2 N H O F F F H N O N CH 3 IC50 = 24.0 nM 488.51 CCC[C@H](C(N)=O)[C@@H](CC(F)(F)F)C(=O)N[C@H]1N=C(c2ccccc2)c2ccccc2N(C)C1=O Homo sapiens CHEMBL3412051 cell-based format
CHEMBL3410157 OBDepict O N H H N NH O H H O H 2 N O N F F F IC50 = 29.0 nM 513.48 NC(=O)[C@@H](c1cnoc1)[C@@H](CCC(F)(F)F)C(=O)N[C@H]1N=C(c2ccccc2)c2ccccc2NC1=O Homo sapiens CHEMBL3412051 cell-based format
CHEMBL3410159 OBDepict H 3 C O N H H O NH 2 N H O H N F F F O N H 3 C IC50 = 62.0 nM 541.53 Cc1cc([C@H](C(N)=O)[C@@H](CCC(F)(F)F)C(=O)N[C@H]2N=C(c3ccccc3)c3ccccc3N(C)C2=O)no1 Homo sapiens CHEMBL3412051 cell-based format
CHEMBL3410158 OBDepict H 3 C O N N H H O NH 2 N H O H N F F F O N H 3 C IC50 = 119.0 nM 542.52 Cc1nc([C@H](C(N)=O)[C@@H](CCC(F)(F)F)C(=O)N[C@H]2N=C(c3ccccc3)c3ccccc3N(C)C2=O)no1 Homo sapiens CHEMBL3412051 cell-based format
CHEMBL3410156 OBDepict O N H H N NH O H H N O H 2 N O F F F IC50 = 161.0 nM 513.48 NC(=O)[C@@H](c1cocn1)[C@@H](CCC(F)(F)F)C(=O)N[C@H]1N=C(c2ccccc2)c2ccccc2NC1=O Homo sapiens CHEMBL3412051 cell-based format
CHEMBL3410155 OBDepict O N H H N NH O H H N N O H 2 N O F F F IC50 = 656.0 nM 514.46 NC(=O)[C@@H](c1ncon1)[C@@H](CCC(F)(F)F)C(=O)N[C@H]1N=C(c2ccccc2)c2ccccc2NC1=O Homo sapiens CHEMBL3412051 cell-based format