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Q99640 | PMYT1_HUMAN | Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase (PKMYT1)

3D structures mapped by conservation among orthologs

[ Domain: "Protein kinase" // Pkinase_Tyr ]

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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
CHEMBL49120 OBDepict CH 3 N H 3 C O N H N N N CH 3 O Cl Cl Ki = 2.0 nM 512.44 CCN(CC)CCOc1ccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)cc1 Homo sapiens CHEMBL4233137 assay format
CHEMBL4583196 OBDepict OH N N N N N H CH 3 N S N H O Cl IC50 = 6.0 nM 473.99 Cc1nc(Nc2ncc(C(=O)Nc3ccccc3Cl)s2)cc(N2CCN(CCO)CC2)n1 Homo sapiens CHEMBL4328727 single protein format
CHEMBL1421 OBDepict HO N N N N N H CH 3 N S N H O H 3 C Cl IC50 = 6.0 nM 488.02 Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1 Homo sapiens CHEMBL4233136 cell-based format
CHEMBL49120 OBDepict CH 3 N H 3 C O N H N N N CH 3 O Cl Cl IC50 = 7.0 nM 512.44 CCN(CC)CCOc1ccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)cc1 Homo sapiens CHEMBL1948658 single protein format
CHEMBL106772 OBDepict Cl Cl O N CH 3 N N N H N O Ki = 8.1 nM 482.37 Cn1c(=O)c(-c2c(Cl)cccc2Cl)cc2cnc(Nc3ccc(N4CCOCC4)cc3)nc21 Homo sapiens CHEMBL4233137 assay format
CHEMBL574058 OBDepict Cl Cl O N H 3 C N N N H H 3 C F Ki = 10.4 nM 429.28 Cc1cc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)ccc1F Homo sapiens CHEMBL4233136 cell-based format
CHEMBL106772 OBDepict Cl Cl O N CH 3 N N N H N O IC50 = 24.0 nM 482.37 Cn1c(=O)c(-c2c(Cl)cccc2Cl)cc2cnc(Nc3ccc(N4CCOCC4)cc3)nc21 Homo sapiens CHEMBL4233136 cell-based format
CHEMBL4438584 OBDepict CH 3 N N O O N N N H O Cl O O Ki = 39.8 nM 542.04 CN1CCN(CCOc2cc3ncnc(Nc4c(Cl)ccc5c4OCO5)c3cc2OC2CCOCC2)CC1 Homo sapiens CHEMBL4328727 single protein format
CHEMBL217092 OBDepict H 3 C N N O O N N HN O Cl O O Ki = 39.8 nM 542.04 CN1CCN(CCOc2cc(OC3CCOCC3)c3c(Nc4c(Cl)ccc5c4OCO5)ncnc3c2)CC1 Homo sapiens CHEMBL4233136 cell-based format
CHEMBL386051 OBDepict CH 3 S N H N N N CH 3 O Cl Cl Ki = 44.0 nM 443.36 CSc1cccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)c1 Homo sapiens CHEMBL4328725 single protein format
CHEMBL4449182 OBDepict H 2 N O NH N N N H HN N H Ki = 48.47 nM 347.38 NC(=O)c1cccc(Nc2nccc(Nc3cccc4c3NNC4)n2)c1 Homo sapiens CHEMBL4328727 single protein format
CHEMBL251549 OBDepict H 2 N O NH N N N H N N H Ki = 48.47 nM 345.37 NC(=O)c1cccc(Nc2nccc(Nc3cccc4[nH]ncc34)n2)c1 Homo sapiens CHEMBL4233136 cell-based format
CHEMBL4246519 OBDepict H 3 C NH OH N N Ki = 51.73 nM 327.39 Cc1cc(O)cc(Nc2ccnc3cc(-c4ccccn4)ccc23)c1 Homo sapiens CHEMBL4233136 cell-based format
CHEMBL1421 OBDepict HO N N N N N H CH 3 N S N H O H 3 C Cl Ki = 73.0 nM 488.02 Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1 Homo sapiens CHEMBL4233137 assay format
CHEMBL4583196 OBDepict OH N N N N N H CH 3 N S N H O Cl Ki = 73.0 nM 473.99 Cc1nc(Nc2ncc(C(=O)Nc3ccccc3Cl)s2)cc(N2CCN(CCO)CC2)n1 Homo sapiens CHEMBL4328725 single protein format
CHEMBL587965 OBDepict CH 3 HN O N H N CH 3 N N H S O O CH 3 Ki = 104.3 nM 425.51 CNC(=O)c1ccccc1Nc1nc(Nc2cccc(CS(C)(=O)=O)c2)ncc1C Homo sapiens CHEMBL4233137 assay format
CHEMBL574058 OBDepict Cl Cl O N H 3 C N N N H H 3 C F IC50 = 109.0 nM 429.28 Cc1cc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)ccc1F Homo sapiens CHEMBL4233136 cell-based format
CHEMBL587965 OBDepict CH 3 HN O N H N CH 3 N N H S O O CH 3 IC50 = 115.0 nM 425.51 CNC(=O)c1ccccc1Nc1nc(Nc2cccc(CS(C)(=O)=O)c2)ncc1C Homo sapiens CHEMBL4233136 cell-based format
CHEMBL4850280 OBDepict H 3 C N N O N N N N H N NH CH 3 H 3 C IC50 = 121.0 nM 480.58 CCn1c(=O)c2cnc(Nc3ccc4c(c3)CNCC4(C)C)nc2n1-c1cccc(C2(C#N)CC2)n1 Homo sapiens CHEMBL4807219 single protein format
CHEMBL288441 OBDepict CH 3 O O N N H N N Cl O H 3 C Cl N CH 3 IC50 = 133.0 nM 530.46 COc1cc(Nc2c(C#N)cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)c(Cl)cc1Cl Homo sapiens CHEMBL4233136 cell-based format
CHEMBL237347 OBDepict HO N H CH 3 N S O O CH 3 IC50 = 177.0 nM 328.39 Cc1ccc(O)cc1Nc1ccnc2ccc(S(C)(=O)=O)cc12 Homo sapiens CHEMBL4233136 cell-based format
CHEMBL545839 OBDepict CH 3 HN O NH N Cl N N H N O Ki = 179.9 nM 438.92 CNC(=O)c1ccccc1Nc1nc(Nc2ccc(N3CCOCC3)cc2)ncc1Cl Homo sapiens CHEMBL4233137 assay format
CHEMBL582038 OBDepict HO NH N N Ki = 200.9 nM 313.36 Oc1cccc(Nc2ccnc3cc(-c4ccncc4)ccc23)c1 Homo sapiens CHEMBL4233137 assay format
CHEMBL4866501 OBDepict H 3 C N N O N N N N H N NH IC50 = 223.0 nM 452.52 CCn1c(=O)c2cnc(Nc3ccc4c(c3)CNCC4)nc2n1-c1cccc(C2(C#N)CC2)n1 Homo sapiens CHEMBL4807219 single protein format
CHEMBL545839 OBDepict CH 3 HN O NH N Cl N N H N O IC50 = 270.0 nM 438.92 CNC(=O)c1ccccc1Nc1nc(Nc2ccc(N3CCOCC3)cc2)ncc1Cl Homo sapiens CHEMBL4233136 cell-based format
CHEMBL288441 OBDepict CH 3 O O N N H N N Cl O H 3 C Cl N CH 3 Ki = 304.0 nM 530.46 COc1cc(Nc2c(C#N)cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)c(Cl)cc1Cl Homo sapiens CHEMBL4233137 assay format
CHEMBL4241193 OBDepict CH 3 O N N H N N N CH 3 NH N O NH 2 IC50 = 340.0 nM 458.53 COc1cc(Nc2ncc(C#N)c(Nc3ccccc3C(N)=O)n2)ccc1N1CCN(C)CC1 Homo sapiens CHEMBL4233136 cell-based format
CHEMBL533960 OBDepict CH 3 O N N H N N N CH 3 N H N O H 2 N IC50 = 340.0 nM 458.53 COc1ccc(Nc2ncc(C#N)c(Nc3ccccc3C(N)=O)n2)cc1N1CCN(C)CC1 Homo sapiens CHEMBL4328727 single protein format
CHEMBL217092 OBDepict H 3 C N N O O N N HN O Cl O O IC50 = 418.0 nM 542.04 CN1CCN(CCOc2cc(OC3CCOCC3)c3c(Nc4c(Cl)ccc5c4OCO5)ncnc3c2)CC1 Homo sapiens CHEMBL4233136 cell-based format
CHEMBL4438584 OBDepict CH 3 N N O O N N N H O Cl O O IC50 = 418.0 nM 542.04 CN1CCN(CCOc2cc3ncnc(Nc4c(Cl)ccc5c4OCO5)c3cc2OC2CCOCC2)CC1 Homo sapiens CHEMBL4328727 single protein format
CHEMBL4241193 OBDepict CH 3 O N N H N N N CH 3 NH N O NH 2 Ki = 461.9 nM 458.53 COc1cc(Nc2ncc(C#N)c(Nc3ccccc3C(N)=O)n2)ccc1N1CCN(C)CC1 Homo sapiens CHEMBL4233137 assay format
CHEMBL533960 OBDepict CH 3 O N N H N N N CH 3 N H N O H 2 N Ki = 461.9 nM 458.53 COc1ccc(Nc2ncc(C#N)c(Nc3ccccc3C(N)=O)n2)cc1N1CCN(C)CC1 Homo sapiens CHEMBL4328725 single protein format
CHEMBL251549 OBDepict H 2 N O NH N N N H N N H IC50 = 509.0 nM 345.37 NC(=O)c1cccc(Nc2nccc(Nc3cccc4[nH]ncc34)n2)c1 Homo sapiens CHEMBL4233136 cell-based format
CHEMBL4449182 OBDepict H 2 N O NH N N N H HN N H IC50 = 509.0 nM 347.38 NC(=O)c1cccc(Nc2nccc(Nc3cccc4c3NNC4)n2)c1 Homo sapiens CHEMBL4328727 single protein format
CHEMBL218088 OBDepict HO CH 3 CH 3 N O NH 2 Ki = 521.5 nM 268.32 Cc1cc(O)cc(C)c1/C=C/c1cncc(C(N)=O)c1 Homo sapiens CHEMBL4233137 assay format
CHEMBL4246519 OBDepict H 3 C NH OH N N IC50 = 543.0 nM 327.39 Cc1cc(O)cc(Nc2ccnc3cc(-c4ccccn4)ccc23)c1 Homo sapiens CHEMBL4233136 cell-based format
CHEMBL237347 OBDepict HO N H CH 3 N S O O CH 3 Ki = 588.0 nM 328.39 Cc1ccc(O)cc1Nc1ccnc2ccc(S(C)(=O)=O)cc12 Homo sapiens CHEMBL4233137 assay format
CHEMBL4529533 OBDepict CH 2 N N O N N N H OH H 3 C H 3 C N N H 3 C Ki = 600.0 nM 499.62 C=CCn1c(=O)c2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2n1-c1cccc(C(C)(C)O)c1 Homo sapiens CHEMBL4328725 single protein format
CHEMBL1976040 OBDepict CH 2 N N O N N N N H OH H 3 C H 3 C N N H 3 C Ki = 600.9 nM 500.61 C=CCn1c(=O)c2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2n1-c1cccc(C(C)(C)O)n1 Homo sapiens CHEMBL4233137 assay format
CHEMBL4878169 OBDepict H 3 C N N O N N N N H N NH IC50 = 691.0 nM 452.52 CCn1c(=O)c2cnc(Nc3ccc4c(c3)CCNC4)nc2n1-c1cccc(C2(C#N)CC2)n1 Homo sapiens CHEMBL4807219 single protein format
CHEMBL582038 OBDepict HO NH N N IC50 = 706.0 nM 313.36 Oc1cccc(Nc2ccnc3cc(-c4ccncc4)ccc23)c1 Homo sapiens CHEMBL4233136 cell-based format
CHEMBL579952 OBDepict O N H F F N N N N N N H N Ki = 720.2 nM 520.5 O=C(Nc1cccc(-c2nn3ncccc3c2-c2ccnc(Nc3cccnc3)n2)c1)c1c(F)cccc1F Homo sapiens CHEMBL4233136 cell-based format
CHEMBL4854253 OBDepict N N N N N O F F F N N H N H IC50 = 767.0 nM 506.49 N#CC1(c2cccc(-n3c4nc(Nc5ccc6c(c5)CNCC6)ncc4c(=O)n3CC(F)(F)F)n2)CC1 Homo sapiens CHEMBL4807219 single protein format
CHEMBL218088 OBDepict HO CH 3 CH 3 N O NH 2 IC50 = 876.0 nM 268.32 Cc1cc(O)cc(C)c1/C=C/c1cncc(C(N)=O)c1 Homo sapiens CHEMBL4233137 assay format