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Q13126 | MTAP_HUMAN | S-methyl-5'-thioadenosine phosphorylase (MTAP)

3D structures mapped by conservation among orthologs

[ Domain: "Peptidyl-tRNA hydrolase-like" // PNP_UDP_1 ]

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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
CHEMBL405346 OBDepict H 3 C S H N H OH N N H N NH 2 Ki = 0.09 nM 293.4 CSC[C@H]1CN(Cc2c[nH]c3c(N)ncnc23)C[C@@H]1O Homo sapiens CHEMBL931723 single protein format
CHEMBL365378 OBDepict CH 3 S N HO N NH H N H 2 N Ki = 0.28 nM 337.49 CCCCSCC1CN(Cc2c[nH]c3c2NC=NC3N)CC1O Homo sapiens CHEMBL827883 single protein format
CHEMBL365813 OBDepict HO N S N N H H N NH 2 Cl Ki = 0.36 nM 391.93 NC1N=CNc2c(CN3CC(O)C(CSc4ccc(Cl)cc4)C3)c[nH]c21 Homo sapiens CHEMBL827883 single protein format
CHEMBL552894 OBDepict OH N H HO S N N N H 2 N Cl H ClH Ki = 0.576 nM 428.35 Cl.Nc1[nH]cnc2c(C3NC(CSc4ccc(Cl)cc4)C(O)C3O)cnc1-2 Homo sapiens CHEMBL615270 single protein format
CHEMBL191544 OBDepict CH 3 S N HO N NH H N H 2 N Ki = 0.65 nM 309.44 CCSCC1CN(Cc2c[nH]c3c2NC=NC3N)CC1O Homo sapiens CHEMBL827883 single protein format
CHEMBL190867 OBDepict HO N S N N H H N NH 2 Ki = 0.76 nM 363.53 NC1N=CNc2c(CN3CC(O)C(CSC4CCCCC4)C3)c[nH]c21 Homo sapiens CHEMBL827883 single protein format
CHEMBL1243249 OBDepict H 3 C H N H HO N N H N NH 2 Ki = 0.8 nM 289.38 CCCC[C@H]1CN(Cc2c[nH]c3c(N)ncnc23)C[C@@H]1O Homo sapiens CHEMBL1246404 single protein format
CHEMBL190216 OBDepict HO N S N N H H N NH 2 F Ki = 0.81 nM 375.47 NC1N=CNc2c(CN3CC(O)C(CSc4ccc(F)cc4)C3)c[nH]c21 Homo sapiens CHEMBL827883 single protein format
CHEMBL191281 OBDepict CH 3 S H 3 C N HO N NH H N H 2 N Ki = 0.9 nM 323.47 CC(C)SCC1CN(Cc2c[nH]c3c2NC=NC3N)CC1O Homo sapiens CHEMBL827883 single protein format
CHEMBL1195586 OBDepict H 3 C S H N H H OH H H HO N N H N H 2 N Ki = 1.0 nM 295.37 CSC[C@H]1N[C@@H](c2c[nH]c3c(N)ncnc23)[C@H](O)[C@@H]1O Homo sapiens CHEMBL2073357 single protein format
CHEMBL554896 OBDepict H 3 C S H N H H OH H H HO N N H N H 2 N ClH IC50 = 1.2 nM 331.83 CSC[C@H]1N[C@@H](c2c[nH]c3c(N)ncnc23)[C@H](O)[C@@H]1O.Cl Homo sapiens CHEMBL713611 single protein format
CHEMBL425188 OBDepict CH 3 S N HO N NH H N H 2 N Ki = 1.3 nM 323.47 CCCSCC1CN(Cc2c[nH]c3c2NC=NC3N)CC1O Homo sapiens CHEMBL827883 single protein format
CHEMBL542449 OBDepict OH N H HO S N N H CH 3 N H 2 N ClH Ki = 1.39 nM 407.93 Cc1cccc(SCC2NC(c3c[nH]c4c(N)ncnc34)C(O)C2O)c1.Cl Homo sapiens CHEMBL615270 single protein format
CHEMBL191436 OBDepict HO N S N N N NH 2 H Ki = 1.4 nM 369.49 Nc1[nH]cnc2c(CN3CC(O)C(CSCc4ccccc4)C3)cnc1-2 Homo sapiens CHEMBL827883 single protein format
CHEMBL188034 OBDepict HO N S N N H H N NH 2 Ki = 1.5 nM 357.48 NC1N=CNc2c(CN3CC(O)C(CSc4ccccc4)C3)c[nH]c21 Homo sapiens CHEMBL827883 single protein format
CHEMBL1243250 OBDepict H 3 C H 3 C H N H OH N N H N NH 2 Ki = 1.7 nM 289.38 CC(C)C[C@H]1CN(Cc2c[nH]c3c(N)ncnc23)C[C@@H]1O Homo sapiens CHEMBL1246404 single protein format
CHEMBL188375 OBDepict CH 3 S N HO N N H N H 2 N Ki = 1.7 nM 293.4 CSCC1CN(Cc2c[nH]c3c(N)ncnc23)CC1O Homo sapiens CHEMBL827883 single protein format
CHEMBL190139 OBDepict HO N S N N H H N N NH 2 Ki = 2.0 nM 358.47 NC1N=CNc2c(CN3CC(O)C(CSc4ccncc4)C3)c[nH]c21 Homo sapiens CHEMBL827883 single protein format
CHEMBL405371 OBDepict H 3 C S N N N H N NH 2 Ki = 2.0 nM 263.37 CSCC1CN(Cc2c[nH]c3c(N)ncnc23)C1 Homo sapiens CHEMBL931723 single protein format
CHEMBL191177 OBDepict HO N S N N H H Cl N NH 2 Ki = 2.0 nM 391.93 NC1N=CNc2c(CN3CC(O)C(CSc4cccc(Cl)c4)C3)c[nH]c21 Homo sapiens CHEMBL827883 single protein format
CHEMBL1241380 OBDepict NH 2 N N N H N H H HO Ki = 2.1 nM 273.34 Nc1ncnc2c(CN3C[C@H](C4CC4)[C@@H](O)C3)c[nH]c12 Homo sapiens CHEMBL1246404 single protein format
CHEMBL1243279 OBDepict NH 2 N N N H N H H HO Ki = 2.6 nM 301.39 Nc1ncnc2c(CN3C[C@H](C4CCCC4)[C@@H](O)C3)c[nH]c12 Homo sapiens CHEMBL1246404 single protein format
CHEMBL1240542 OBDepict H 2 C H N H OH N N H N NH 2 Ki = 3.0 nM 273.34 C=CC[C@H]1CN(Cc2c[nH]c3c(N)ncnc23)C[C@@H]1O Homo sapiens CHEMBL1246404 single protein format
CHEMBL1241349 OBDepict CH 3 H N H OH N N H N NH 2 Ki = 3.2 nM 261.33 CC[C@H]1CN(Cc2c[nH]c3c(N)ncnc23)C[C@@H]1O Homo sapiens CHEMBL1246404 single protein format
CHEMBL1241381 OBDepict CH 2 H N H OH N N H N NH 2 Ki = 3.2 nM 259.31 C=C[C@H]1CN(Cc2c[nH]c3c(N)ncnc23)C[C@@H]1O Homo sapiens CHEMBL1246404 single protein format
CHEMBL545042 OBDepict HO N H OH S N N N NH 2 H ClH Ki = 3.6 nM 393.9 Cl.Nc1[nH]cnc2c(C3NC(CSc4ccccc4)C(O)C3O)cnc1-2 Homo sapiens CHEMBL615270 single protein format
CHEMBL544806 OBDepict H 3 C S N H OH HO N N H N H 2 N ClH Ki = 4.0 nM 359.88 CCCSCC1NC(c2c[nH]c3c(N)ncnc23)C(O)C1O.Cl Homo sapiens CHEMBL615270 single protein format
CHEMBL2070308 OBDepict H 3 C S NH H HO N N H N NH 2 Ki = 4.4 nM 267.36 CSC[C@@H](CO)NCc1c[nH]c2c(N)ncnc12 Homo sapiens CHEMBL2073357 single protein format
CHEMBL544110 OBDepict OH N H HO S N N H N H 2 N CH 3 ClH Ki = 4.4 nM 407.93 Cc1ccc(SCC2NC(c3c[nH]c4c(N)ncnc34)C(O)C2O)cc1.Cl Homo sapiens CHEMBL615270 single protein format
CHEMBL2070311 OBDepict CH 3 S OH H N H H OH N N H N NH 2 Ki = 5.2 nM 297.38 CSC[C@@H](O)[C@@H](CO)NCc1c[nH]c2c(N)ncnc12 Homo sapiens CHEMBL2073357 single protein format
CHEMBL553982 OBDepict HO N H OH S N N Cl N NH 2 H ClH Ki = 6.4 nM 428.35 Cl.Nc1[nH]cnc2c(C3NC(CSc4cccc(Cl)c4)C(O)C3O)cnc1-2 Homo sapiens CHEMBL615270 single protein format
CHEMBL545740 OBDepict OH N H HO S N N N H 2 N F H ClH Ki = 6.4 nM 411.89 Cl.Nc1[nH]cnc2c(C3NC(CSc4ccc(F)cc4)C(O)C3O)cnc1-2 Homo sapiens CHEMBL615270 single protein format
CHEMBL1243311 OBDepict NH 2 N N N H N H H HO Ki = 8.0 nM 309.37 Nc1ncnc2c(CN3C[C@H](c4ccccc4)[C@@H](O)C3)c[nH]c12 Homo sapiens CHEMBL1246404 single protein format
CHEMBL554965 OBDepict H 3 C S N H HO OH N N H N NH 2 ClH Ki = 9.2 nM 345.86 CCSCC1NC(c2c[nH]c3c(N)ncnc23)C(O)C1O.Cl Homo sapiens CHEMBL615270 single protein format
CHEMBL2070310 OBDepict CH 3 S N H HO N N H N NH 2 Ki = 10.0 nM 281.38 CSCC(CO)CNCc1c[nH]c2c(N)ncnc12 Homo sapiens CHEMBL2073357 single protein format
CHEMBL2070307 OBDepict CH 3 S HN OH N N H N NH 2 Ki = 12.0 nM 267.36 CSCC(CO)NCc1c[nH]c2c(N)ncnc12 Homo sapiens CHEMBL2073357 single protein format
CHEMBL2070405 OBDepict H 3 C S H HO H N OH H 3 C N N H N NH 2 Ki = 12.0 nM 325.44 CSC[C@@H](CN(C)Cc1c[nH]c2c(N)ncnc12)[C@@H](O)CO Homo sapiens CHEMBL2073357 single protein format
CHEMBL1243280 OBDepict NH 2 N N N H N H H HO Ki = 14.0 nM 329.45 Nc1ncnc2c(CN3C[C@H](CC4CCCCC4)[C@@H](O)C3)c[nH]c12 Homo sapiens CHEMBL1246404 single protein format
CHEMBL189837 OBDepict CH 3 O N HO N NH H N H 2 N Ki = 14.0 nM 279.34 COCC1CN(Cc2c[nH]c3c2NC=NC3N)CC1O Homo sapiens CHEMBL827883 single protein format
CHEMBL1243278 OBDepict CH 3 H 3 C H N H OH N N H N NH 2 Ki = 18.0 nM 317.44 CCC(CC)C[C@H]1CN(Cc2c[nH]c3c(N)ncnc23)C[C@@H]1O Homo sapiens CHEMBL1246404 single protein format
CHEMBL542694 OBDepict F S N H HO OH N N N NH 2 H ClH Ki = 20.0 nM 363.85 Cl.Nc1[nH]cnc2c(C3NC(CSCCF)C(O)C3O)cnc1-2 Homo sapiens CHEMBL615270 single protein format
CHEMBL189911 OBDepict CH 3 N HO N NH H N H 2 N Ki = 22.0 nM 277.37 CCCC1CN(Cc2c[nH]c3c2NC=NC3N)CC1O Homo sapiens CHEMBL827883 single protein format
CHEMBL1161749 OBDepict H 3 C S N H OH HO N N H N H 2 N Ki = 26.0 nM 295.37 CSCC1NC(c2c[nH]c3c(N)ncnc23)C(O)C1O Homo sapiens CHEMBL827883 single protein format
CHEMBL554642 OBDepict HO N H OH S N N N NH 2 H ClH Ki = 26.0 nM 407.93 Cl.Nc1[nH]cnc2c(C3NC(CSCc4ccccc4)C(O)C3O)cnc1-2 Homo sapiens CHEMBL615270 single protein format
CHEMBL554322 OBDepict H 3 C S N H OH HO N N H N H 2 N ClH Ki = 26.0 nM 331.83 CSCC1NC(c2c[nH]c3c(N)ncnc23)C(O)C1O.Cl Homo sapiens CHEMBL615270 single protein format
CHEMBL1241431 OBDepict CH H N H OH N N H N NH 2 Ki = 31.0 nM 257.3 C#C[C@H]1CN(Cc2c[nH]c3c(N)ncnc23)C[C@@H]1O Homo sapiens CHEMBL1246404 single protein format
CHEMBL2070402 OBDepict H 3 C S NH HO HO N N H N NH 2 Ki = 34.0 nM 297.38 CSCC(CO)(CO)NCc1c[nH]c2c(N)ncnc12 Homo sapiens CHEMBL2073357 single protein format
CHEMBL2070401 OBDepict CH 3 S OH H N H H OH N N H N NH 2 Ki = 34.0 nM 297.38 CSC[C@@H](O)[C@H](CO)NCc1c[nH]c2c(N)ncnc12 Homo sapiens CHEMBL2073357 single protein format
CHEMBL2070309 OBDepict H 3 C S NH H HO N N H N NH 2 Ki = 34.0 nM 267.36 CSC[C@H](CO)NCc1c[nH]c2c(N)ncnc12 Homo sapiens CHEMBL2073357 single protein format
CHEMBL1241432 OBDepict CH 3 H N H OH N N H N NH 2 Ki = 34.0 nM 261.33 CC[C@H]1CN(Cc2c[nH]c3c(N)ncnc23)C[C@H]1O Homo sapiens CHEMBL1246404 single protein format
CHEMBL2070404 OBDepict OH O F F F CH 3 S H OH H HN HO N N H N NH 2 Ki = 34.0 nM 425.43 CSC[C@@H](CNCc1c[nH]c2c(N)ncnc12)[C@@H](O)CO.O=C(O)C(F)(F)F Homo sapiens CHEMBL2073357 single protein format
CHEMBL542452 OBDepict H 3 C N H OH HO N N H N H 2 N ClH Ki = 44.0 nM 313.79 CCCC1NC(c2c[nH]c3c(N)ncnc23)C(O)C1O.Cl Homo sapiens CHEMBL615270 single protein format
CHEMBL190954 OBDepict HO N S N N N H N NH 2 Ki = 55.0 nM 370.48 Nc1ncnc2c(CN3CC(O)C(CSCc4ccccc4)C3)n[nH]c12 Homo sapiens CHEMBL827883 single protein format
CHEMBL542697 OBDepict OH S N H HO OH N N N NH 2 H ClH Ki = 56.0 nM 361.86 Cl.Nc1[nH]cnc2c(C3NC(CSCCO)C(O)C3O)cnc1-2 Homo sapiens CHEMBL615270 single protein format
CHEMBL1243312 OBDepict NH 2 N N N H N H N H HO N N Ki = 59.0 nM 300.33 Nc1ncnc2c(CN3C[C@H](O)[C@@H](n4ccnn4)C3)c[nH]c12 Homo sapiens CHEMBL1246404 single protein format
CHEMBL1243341 OBDepict H N H 2 N N N N H OH H S Ki = 71.0 nM 397.55 Nc1ncnc2c(CN3C[C@H](CCCSCc4ccccc4)[C@@H](O)C3)c[nH]c12 Homo sapiens CHEMBL1246404 single protein format
CHEMBL189910 OBDepict HO N O N N H H N NH 2 Ki = 85.0 nM 355.44 NC1N=CNc2c(CN3CC(O)C(COCc4ccccc4)C3)c[nH]c21 Homo sapiens CHEMBL827883 single protein format
CHEMBL2070312 OBDepict CH 3 S OH H N H H OH N N H N NH 2 Ki = 87.0 nM 297.38 CSC[C@H](O)[C@H](CO)NCc1c[nH]c2c(N)ncnc12 Homo sapiens CHEMBL2073357 single protein format
CHEMBL2070400 OBDepict CH 3 S OH H N H H OH N N H N NH 2 Ki = 87.0 nM 297.38 CSC[C@H](O)[C@@H](CO)NCc1c[nH]c2c(N)ncnc12 Homo sapiens CHEMBL2073357 single protein format
CHEMBL553375 OBDepict OH N H HO S N N N H 2 N H ClH Ki = 90.0 nM 443.96 Cl.Nc1[nH]cnc2c(C3NC(CSc4cccc5ccccc45)C(O)C3O)cnc1-2 Homo sapiens CHEMBL615270 single protein format
CHEMBL2070406 OBDepict H 3 C S HO H H N HO H 3 C N N H N NH 2 Ki = 105.0 nM 325.44 CSC[C@H](O)[C@@H](CO)CN(C)Cc1c[nH]c2c(N)ncnc12 Homo sapiens CHEMBL2073357 single protein format
CHEMBL2070408 OBDepict H 3 C S HN H OH H OH N N H N NH 2 Ki = 130.0 nM 297.38 CSC[C@H](CO)N[C@H](CO)c1c[nH]c2c(N)ncnc12 Homo sapiens CHEMBL2073357 single protein format
CHEMBL544574 OBDepict H 3 C O N H OH HO N N H N H 2 N ClH Ki = 134.0 nM 315.76 COCC1NC(c2c[nH]c3c(N)ncnc23)C(O)C1O.Cl Homo sapiens CHEMBL615270 single protein format
CHEMBL407216 OBDepict H 3 C S HO N N N H N H 2 N Ki = 140.0 nM 293.4 CSCC1(CO)CN(Cc2c[nH]c3c(N)ncnc23)C1 Homo sapiens CHEMBL931723 single protein format
CHEMBL2070407 OBDepict H 3 C S OH H OH H N CH 3 N N H N NH 2 Ki = 368.0 nM 311.41 CSC[C@H](O)[C@@H](O)CN(C)Cc1c[nH]c2c(N)ncnc12 Homo sapiens CHEMBL2073357 single protein format
CHEMBL2070403 OBDepict H HO S NH CH 3 N N H N NH 2 Ki = 602.0 nM 267.36 CSC[C@@H](O)CNCc1c[nH]c2c(N)ncnc12 Homo sapiens CHEMBL2073357 single protein format
CHEMBL545273 OBDepict CH 3 N H OH HO N N H N H 2 N ClH Ki = 720.0 nM 285.74 CC1NC(c2c[nH]c3c(N)ncnc23)C(O)C1O.Cl Homo sapiens CHEMBL615270 single protein format
CHEMBL3604360 OBDepict H 3 C S H N H OH N N H N NH 2 Ki = 750.0 nM 293.4 CSC[C@@H]1CN(Cc2c[nH]c3c(N)ncnc23)C[C@H]1O Homo sapiens CHEMBL3606935 single protein format