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P19971 | TYPH_HUMAN | Thymidine phosphorylase (TYMP)

3D structures mapped by conservation among orthologs

[ Domain: "Nucleoside phosphorylase/phosphoribosyltransferase-N" // Glycos_trans_3N ]

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[ Domain: "Pyrimidine nucleoside phosphorylase C-terminal domain" // PYNP_C ]

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[ Domain: "Nucleoside phosphorylase/phosphoribosyltransferase catalytic domain" // Glycos_transf_3 ]

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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
CHEMBL65986 OBDepict NH 2 N + N H N H Br O N O H _ Cl IC50 = 1.9 nM 322.55 Nc1[nH]cc[n+]1Cc1[nH]c(=O)[nH]c(=O)c1Br.[Cl-] Homo sapiens CHEMBL811739 single protein format
CHEMBL235668 OBDepict OH N N HO N Cl HN Ki = 5.0 nM 242.67 N=C1CCCN1Cc1nc(O)nc(O)c1Cl Homo sapiens CHEMBL814426 single protein format
CHEMBL1080896 OBDepict H 2 N N N N H F O N O H Ki = 17.0 nM 225.18 Nc1nccn1Cc1[nH]c(=O)[nH]c(=O)c1F Homo sapiens CHEMBL1100898 single protein format
CHEMBL122679 OBDepict H 2 N N + N H N H Br O N O H IC50 = 19.0 nM 287.1 Nc1[nH]cc[n+]1Cc1[nH]c(=O)[nH]c(=O)c1Br Homo sapiens CHEMBL813681 single protein format
CHEMBL65375 OBDepict HN N N H Cl O N O H ClH IC50 = 20.0 nM 279.13 Cl.N=C1CCCN1Cc1[nH]c(=O)[nH]c(=O)c1Cl Homo sapiens CHEMBL811739 single protein format
CHEMBL65375 OBDepict HN N N H Cl O N O H ClH Ki = 20.0 nM 279.13 Cl.N=C1CCCN1Cc1[nH]c(=O)[nH]c(=O)c1Cl Homo sapiens CHEMBL827151 single protein format
CHEMBL4129617 OBDepict HN HN N N H Cl O N O H BrH IC50 = 20.0 nM 324.57 Br.N=C1NCCN1Cc1[nH]c(=O)[nH]c(=O)c1Cl Homo sapiens CHEMBL4124406 single protein format
CHEMBL66531 OBDepict OH N N HO Cl + N H 2 N N H _ Cl IC50 = 21.0 nM 278.1 Nc1[nH]cc[n+]1Cc1nc(O)nc(O)c1Cl.[Cl-] Homo sapiens CHEMBL811739 single protein format
CHEMBL235668 OBDepict OH N N HO N Cl HN IC50 = 35.0 nM 242.67 N=C1CCCN1Cc1nc(O)nc(O)c1Cl Homo sapiens CHEMBL878638 single protein format
CHEMBL64909 OBDepict Br NH 2 N O N H H O IC50 = 35.0 nM 206.0 Nc1[nH]c(=O)[nH]c(=O)c1Br Homo sapiens CHEMBL4423629 single protein format
CHEMBL193667 OBDepict OH N N HO Cl + N H 2 N N H IC50 = 49.0 nM 242.65 Nc1[nH]cc[n+]1Cc1nc(O)nc(O)c1Cl Homo sapiens CHEMBL832607 single protein format
CHEMBL194335 OBDepict OH N HO N + N H 2 N N H IC50 = 100.0 nM 208.2 Nc1[nH]cc[n+]1Cc1cc(O)nc(O)n1 Homo sapiens CHEMBL832607 single protein format
CHEMBL4455140 OBDepict OH N H HO N H I O N O H IC50 = 120.0 nM 341.11 O=c1[nH]c(CNC(CO)CO)c(I)c(=O)[nH]1 Homo sapiens CHEMBL4423541 cell-based format
CHEMBL4293861 OBDepict HO N N H 3 C O N H Cl O Cl IC50 = 120.0 nM 314.13 Cc1cc(=O)[nH]c(=O)n1/C(=NO)c1ccc(Cl)c(Cl)c1 Homo sapiens CHEMBL4253665 single protein format
CHEMBL234998 OBDepict H N Cl O N H O Ki = 200.0 nM 212.64 O=c1[nH]c(Cl)c(C2=CCCC2)c(=O)[nH]1 Homo sapiens CHEMBL901716 cell-based format
CHEMBL374140 OBDepict HO H O H O H N H O H O N P H 3 C H O OH OH O Ki = 236.0 nM 364.25 Cc1cn([C@@H]2O[C@H](CO)[C@H]3O[C@@H](CP(=O)(O)O)O[C@H]32)c(=O)[nH]c1=O Homo sapiens CHEMBL856524 single protein format
CHEMBL401998 OBDepict O N H 3 C H N O O P O OH OH Ki = 236.0 nM 264.17 Cc1cn(CCOCP(=O)(O)O)c(=O)[nH]c1=O Homo sapiens CHEMBL1066239 single protein format
CHEMBL599755 OBDepict H 3 C O N P O N O OH HO CH 3 H O Ki = 236.0 nM 278.2 Cc1cn(CC(C)OCP(=O)(O)O)c(=O)[nH]c1=O Homo sapiens CHEMBL1066239 single protein format
CHEMBL599022 OBDepict HO O N P O N O OH HO CH 3 H O Ki = 236.0 nM 294.2 Cc1cn(CC(CO)OCP(=O)(O)O)c(=O)[nH]c1=O Homo sapiens CHEMBL1066239 single protein format
CHEMBL592394 OBDepict F O N P O N O OH HO CH 3 H O Ki = 236.0 nM 296.19 Cc1cn(CC(CF)OCP(=O)(O)O)c(=O)[nH]c1=O Homo sapiens CHEMBL1066239 single protein format
CHEMBL597717 OBDepict HO H O H OH H N H OH O N Br O P O OH OH Ki = 236.0 nM 515.29 O=c1c(Br)cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)n1CCCCCCCCP(=O)(O)O Homo sapiens CHEMBL1066239 single protein format
CHEMBL397364 OBDepict H N Cl O N H S O Ki = 280.0 nM 228.66 O=c1[nH]c(Cl)c(-c2cccs2)c(=O)[nH]1 Homo sapiens CHEMBL901716 cell-based format
CHEMBL3087264 OBDepict NH 2 S NH N H Cl O N O H ClH IC50 = 350.0 nM 271.13 Cl.N=C(N)SCc1[nH]c(=O)[nH]c(=O)c1Cl Homo sapiens CHEMBL3088705 single protein format
CHEMBL235001 OBDepict H N Cl O N H O Ki = 400.0 nM 222.63 O=c1[nH]c(Cl)c(-c2ccccc2)c(=O)[nH]1 Homo sapiens CHEMBL901716 cell-based format
CHEMBL238218 OBDepict CH 3 Cl N O N H H O Ki = 410.0 nM 214.65 CCC/C=C/c1c(Cl)[nH]c(=O)[nH]c1=O Homo sapiens CHEMBL901716 cell-based format
CHEMBL234999 OBDepict H N Cl O N H O Ki = 420.0 nM 226.66 O=c1[nH]c(Cl)c(C2=CCCCC2)c(=O)[nH]1 Homo sapiens CHEMBL901716 cell-based format
CHEMBL394454 OBDepict CH 3 H 3 C Cl N O N H H O Ki = 490.0 nM 214.65 C/C=C(CC)c1c(Cl)[nH]c(=O)[nH]c1=O Homo sapiens CHEMBL901716 cell-based format
CHEMBL395907 OBDepict H N F O N H O Ki = 500.0 nM 206.18 O=c1[nH]c(F)c(-c2ccccc2)c(=O)[nH]1 Homo sapiens CHEMBL901716 cell-based format
CHEMBL303346 OBDepict OH N HO N + N H 2 N N H _ Cl IC50 = 560.0 nM 243.65 Nc1[nH]cc[n+]1Cc1cc(O)nc(O)n1.[Cl-] Homo sapiens CHEMBL811739 single protein format
CHEMBL396865 OBDepict CH 3 Cl N O N H H O Ki = 630.0 nM 200.62 CC/C=C/c1c(Cl)[nH]c(=O)[nH]c1=O Homo sapiens CHEMBL901716 cell-based format
CHEMBL235875 OBDepict F Cl N O N H H O Ki = 710.0 nM 240.62 O=c1[nH]c(Cl)c(-c2ccc(F)cc2)c(=O)[nH]1 Homo sapiens CHEMBL901716 cell-based format
CHEMBL87371 OBDepict O HN S O O S Cl Cl Ki = 770.0 nM 438.36 O=C(/C=C/c1ccccc1-c1ccc(Cl)c(Cl)c1)NS(=O)(=O)c1cccs1 Homo sapiens CHEMBL764130 single protein format
CHEMBL4469338 OBDepict OH N H HO N H Cl O N O H IC50 = 1000.0 nM 249.65 O=c1[nH]c(CNC(CO)CO)c(Cl)c(=O)[nH]1 Homo sapiens CHEMBL4423541 cell-based format