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Q13526 | PIN1_HUMAN | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (PIN1)

3D structures mapped by conservation among orthologs

[ Domain: "FKBP-like" // Rotamase_3 ]

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[ Domain: "WW domain" // WW ]

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[ Domain: "Periplasmic binding protein-like II" // SBP_bac_1_N_1 ]

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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
CHEMBL585917 OBDepict F N H H O O P S O OH OH Ki = 6.0 nM 409.38 O=C(N[C@@H](COP(=O)(O)O)Cc1cccc(F)c1)c1cc2ccccc2s1 Homo sapiens CHEMBL1046169 single protein format
CHEMBL585917 OBDepict F N H H O O P S O OH OH IC50 = 6.0 nM 409.38 O=C(N[C@@H](COP(=O)(O)O)Cc1cccc(F)c1)c1cc2ccccc2s1 Homo sapiens CHEMBL2410562 single protein format
CHEMBL1089602 OBDepict HO P O O HO N H H O S F Ki = 6.0 nM 409.38 O=C(N[C@@H](CO)Cc1cccc(F)c1)c1cc2ccccc2s1.O=P(=O)O Homo sapiens CHEMBL1109788 single protein format
CHEMBL1163019 OBDepict F N H H O O P O OH HO Ki = 8.0 nM 403.35 O=C(N[C@H](COP(=O)(O)O)Cc1cccc(F)c1)c1ccc2ccccc2c1 Homo sapiens CHEMBL1046169 single protein format
CHEMBL3353369 OBDepict O HN H O OH N H F Ki = 12.0 nM 428.46 O=C(CC1c2ccccc2-c2ccccc21)N[C@H](Cc1cc2ccc(F)cc2[nH]1)C(=O)O Homo sapiens CHEMBL3378164 single protein format
CHEMBL595291 OBDepict NH 2 O CH 3 N H O H O O CH 3 N N H IC50 = 25.0 nM 432.48 COC(=O)[C@@H](Cc1nc2ccccc2[nH]1)NC(=O)c1cc(-c2ccc(CN)cc2)oc1C Homo sapiens CHEMBL1065476 single protein format
CHEMBL2409075 OBDepict NH 2 O H 3 C N H O H O HO N N H IC50 = 25.0 nM 418.45 Cc1oc(-c2ccc(CN)cc2)cc1C(=O)N[C@H](Cc1nc2ccccc2[nH]1)C(=O)O Homo sapiens CHEMBL2410562 single protein format
CHEMBL576239 OBDepict CH 3 N H H O O P O OH HO Ki = 32.0 nM 399.38 Cc1cccc(C[C@H](COP(=O)(O)O)NC(=O)c2ccc3ccccc3c2)c1 Homo sapiens CHEMBL1046169 single protein format
CHEMBL2409078 OBDepict S N S N S Ki = 50.0 nM 288.51 S=C(SC(=S)N1CCCCC1)N1CCCCC1 Homo sapiens CHEMBL2410560 single protein format
CHEMBL583856 OBDepict CH 3 N H H O O P S O OH OH Ki = 57.0 nM 405.41 Cc1cccc(C[C@H](COP(=O)(O)O)NC(=O)c2cc3ccccc3s2)c1 Homo sapiens CHEMBL1046169 single protein format
CHEMBL3353368 OBDepict O NH H O HO N Cl Cl H F Ki = 75.0 nM 423.27 O=C(CCc1c(Cl)cccc1Cl)N[C@H](Cc1cc2ccc(F)cc2[nH]1)C(=O)O Homo sapiens CHEMBL3378164 single protein format
CHEMBL3322220 OBDepict F N N H N H H O OH O S Ki = 76.0 nM 383.4 O=C(N[C@H](Cc1nc2cc(F)ccc2[nH]1)C(=O)O)c1cc2ccccc2s1 Homo sapiens CHEMBL3378164 single protein format
CHEMBL577063 OBDepict O N H H O P F O HO OH F Ki = 78.0 nM 421.34 O=C(N[C@@H](COP(=O)(O)O)Cc1cccc(F)c1F)c1ccc2ccccc2c1 Homo sapiens CHEMBL1046169 single protein format
CHEMBL3322219 OBDepict F N N H NH H O OH O Ki = 80.0 nM 377.38 O=C(N[C@H](Cc1nc2cc(F)ccc2[nH]1)C(=O)O)c1ccc2ccccc2c1 Homo sapiens CHEMBL3378164 single protein format
CHEMBL584271 OBDepict O HN S H O P F O OH HO F Ki = 89.0 nM 427.37 O=C(N[C@@H](COP(=O)(O)O)Cc1cccc(F)c1F)c1cc2ccccc2s1 Homo sapiens CHEMBL1046169 single protein format
CHEMBL1090715 OBDepict F HN H O HO O IC50 = 90.0 nM 363.39 O=C(N[C@H](C/C=C/c1cccc(F)c1)C(=O)O)c1ccc2ccccc2c1 Homo sapiens CHEMBL4688201 assay format
CHEMBL577299 OBDepict O N H H O P O HO OH Ki = 100.0 nM 385.36 O=C(N[C@@H](COP(=O)(O)O)Cc1ccccc1)c1ccc2ccccc2c1 Homo sapiens CHEMBL1046169 single protein format
CHEMBL593069 OBDepict H 3 C O O CH 3 N H O H O OH N N H IC50 = 130.0 nM 419.44 COc1ccc(-c2cc(C(=O)N[C@H](Cc3nc4ccccc4[nH]3)C(=O)O)c(C)o2)cc1 Homo sapiens CHEMBL1065476 single protein format
CHEMBL3322225 OBDepict F N H HN H O HO O Ki = 138.0 nM 376.39 O=C(N[C@H](Cc1cc2ccc(F)cc2[nH]1)C(=O)O)c1ccc2ccccc2c1 Homo sapiens CHEMBL3378164 single protein format
CHEMBL3322215 OBDepict Cl N N H NH H O OH O Ki = 173.0 nM 393.83 O=C(N[C@H](Cc1nc2cc(Cl)ccc2[nH]1)C(=O)O)c1ccc2ccccc2c1 Homo sapiens CHEMBL3378164 single protein format
CHEMBL1092489 OBDepict HO P O O HO N H H O S Ki = 179.0 nM 391.39 O=C(N[C@@H](CO)Cc1ccccc1)c1cc2ccccc2s1.O=P(=O)O Homo sapiens CHEMBL1109788 single protein format
CHEMBL585944 OBDepict O HN S H O P O OH HO Ki = 179.0 nM 391.39 O=C(N[C@@H](COP(=O)(O)O)Cc1ccccc1)c1cc2ccccc2s1 Homo sapiens CHEMBL1046169 single protein format
CHEMBL585944 OBDepict O HN S H O P O OH HO IC50 = 180.0 nM 391.39 O=C(N[C@@H](COP(=O)(O)O)Cc1ccccc1)c1cc2ccccc2s1 Homo sapiens CHEMBL2410562 single protein format
CHEMBL595056 OBDepict N O CH 3 N H O H O O CH 3 N N H IC50 = 180.0 nM 428.45 COC(=O)[C@@H](Cc1nc2ccccc2[nH]1)NC(=O)c1cc(-c2ccc(C#N)cc2)oc1C Homo sapiens CHEMBL1065476 single protein format
CHEMBL3322216 OBDepict Cl N N H N H H O OH O S Ki = 189.0 nM 399.86 O=C(N[C@H](Cc1nc2cc(Cl)ccc2[nH]1)C(=O)O)c1cc2ccccc2s1 Homo sapiens CHEMBL3378164 single protein format
CHEMBL3322230 OBDepict F N H N S O HO Cl Cl Ki = 196.0 nM 451.35 O=C(O)C1(Cc2cc3ccc(F)cc3[nH]2)CSC(CCc2c(Cl)cccc2Cl)=N1 Homo sapiens CHEMBL3378164 single protein format
CHEMBL2017129 OBDepict F + N OH O _ O + N O OH O _ O Ki = 200.0 nM 438.37 O=C(c1cc(-c2cc(F)cc([N+](=O)[O-])c2O)cc([N+](=O)[O-])c1O)C1CCc2ccccc21 Homo sapiens CHEMBL2020712 single protein format
CHEMBL2409070 OBDepict O OH + N O _ O + N OH O _ O F + N O _ O IC50 = 200.0 nM 483.36 O=C(c1cc(-c2c(O)c([N+](=O)[O-])cc(F)c2[N+](=O)[O-])cc([N+](=O)[O-])c1O)C1CCc2ccccc21 Homo sapiens CHEMBL2410558 single protein format
CHEMBL594125 OBDepict H 3 C O O N H H N N O H N H 3 C N IC50 = 260.0 nM 403.44 COC(=O)[C@@H](Cc1nc2ccccc2[nH]1)NC(=O)c1cc(-c2ccccc2)nn1C Homo sapiens CHEMBL1065476 single protein format
CHEMBL1269200 OBDepict F N N H O OH O OH IC50 = 320.0 nM 250.19 O=C(O)c1nc(-c2cccc(F)c2)[nH]c1C(=O)O Homo sapiens CHEMBL1272369 single protein format
CHEMBL3322295 OBDepict F N H N S O HO Ki = 320.0 nM 456.54 O=C(O)C1(Cc2cc3ccc(F)cc3[nH]2)CSC(CC2c3ccccc3-c3ccccc32)=N1 Homo sapiens CHEMBL3378164 single protein format
CHEMBL593179 OBDepict H 3 C O O N H H N N O H H 3 C O CH 3 IC50 = 320.0 nM 417.47 COC(=O)[C@@H](Cc1nc2ccccc2[nH]1)NC(=O)c1cc(-c2ccc(C)cc2)oc1C Homo sapiens CHEMBL1065476 single protein format
CHEMBL4566440 OBDepict OH O N N O IC50 = 330.0 nM 422.48 O=C(O)c1ccc(-c2nc3ccccc3n2CCCOc2cccc3ccccc23)cc1 Homo sapiens CHEMBL4392788 assay format
CHEMBL3353367 OBDepict O N H H O HO N H F Ki = 400.0 nM 390.41 O=C(Cc1cccc2ccccc12)N[C@H](Cc1cc2ccc(F)cc2[nH]1)C(=O)O Homo sapiens CHEMBL3378164 single protein format
CHEMBL3322218 OBDepict CH 3 N N H N H H O OH O S Ki = 424.0 nM 379.44 Cc1ccc2[nH]c(C[C@@H](NC(=O)c3cc4ccccc4s3)C(=O)O)nc2c1 Homo sapiens CHEMBL3378164 single protein format
CHEMBL4587244 OBDepict HO O N N O H 3 C CH 3 Cl IC50 = 470.0 nM 434.92 Cc1cc(OCCCn2c(-c3ccc(C(=O)O)cc3)nc3ccccc32)cc(C)c1Cl Homo sapiens CHEMBL4392788 assay format
CHEMBL1272138 OBDepict NH 2 O N O N N S N O HO H IC50 = 520.0 nM 435.47 NC(=O)CN(Cc1nc2ccccc2s1)C(=O)c1nc(-c2ccccc2)[nH]c1C(=O)O Homo sapiens CHEMBL1272369 single protein format
CHEMBL566825 OBDepict O N H H O P O HO OH Ki = 525.0 nM 335.3 O=C(N[C@@H](COP(=O)(O)O)Cc1ccccc1)c1ccccc1 Homo sapiens CHEMBL1046169 single protein format
CHEMBL4278419 OBDepict OH O O H 3 C CH 3 H H N O O CH 3 CH 3 H CH 3 H CH 3 H H 3 C IC50 = 550.0 nM 591.83 C[C@H]1[C@H](C)CC[C@]2(C)CC[C@]3(C)C(=CC(=O)[C@@H]4[C@@]5(C)C/C(=CC(=O)O)C(=O)[C@](C)(C(=O)N6CCCCC6)[C@@H]5CC[C@]43C)[C@H]12 Homo sapiens CHEMBL4266977 single protein format
CHEMBL3322296 OBDepict F N H N S O HO Cl Cl Ki = 580.0 nM 449.33 O=C(O)C1(Cc2cc3ccc(F)cc3[nH]2)CSC(/C=C/c2c(Cl)cccc2Cl)=N1 Homo sapiens CHEMBL3378164 single protein format
CHEMBL4526940 OBDepict OH O S O N S O O CH 3 CH 3 CH 3 Ki = 625.2 nM 443.55 CC(C)(C)c1ccc(S(=O)(=O)/N=C2C=C(SCC(=O)O)C(=O)c3ccccc32)cc1 Homo sapiens CHEMBL4373361 single protein format
CHEMBL4762559 OBDepict OH O S O N S O O CH 3 CH 3 CH 3 IC50 = 640.0 nM 443.55 CC(C)(C)c1ccc(S(=O)(=O)/N=C2/C=C(SCC(=O)O)C(=O)c3ccccc32)cc1 Homo sapiens CHEMBL4688204 single protein format
CHEMBL4548918 OBDepict O O N H 3 C CH 3 N Cl O OH IC50 = 720.0 nM 448.91 Cc1cc(OC(=O)CCn2c(-c3ccc(C(=O)O)cc3)nc3ccccc32)cc(C)c1Cl Homo sapiens CHEMBL4392788 assay format
CHEMBL3322217 OBDepict CH 3 N N H HN H O HO O Ki = 780.0 nM 373.41 Cc1ccc2[nH]c(C[C@@H](NC(=O)c3ccc4ccccc4c3)C(=O)O)nc2c1 Homo sapiens CHEMBL3378164 single protein format
CHEMBL38 OBDepict CH 3 CH 3 CH 3 H 3 C CH 3 O OH IC50 = 820.0 nM 300.44 CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)O)C(C)(C)CCC1 Homo sapiens CHEMBL4222826 assay format
CHEMBL38 OBDepict CH 3 CH 3 CH 3 H 3 C CH 3 O OH Ki = 820.0 nM 300.44 CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)O)C(C)(C)CCC1 Homo sapiens CHEMBL4688205 single protein format
CHEMBL3357850 OBDepict O O H H CH 3 CH 3 N O H 3 C H 3 C CH 3 H CH 3 H 3 C O IC50 = 830.0 nM 561.81 CN(C)C(=O)CC[C@H](C(=O)OCc1ccccc1)[C@@H]1CC[C@]2(C)C3=C(CC[C@@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3 Homo sapiens CHEMBL3379139 single protein format
CHEMBL1272245 OBDepict O N N N O OH H IC50 = 830.0 nM 425.49 O=C(O)c1[nH]c(-c2ccccc2)nc1C(=O)N(CCc1ccccc1)Cc1ccccc1 Homo sapiens CHEMBL1272369 single protein format
CHEMBL609887 OBDepict O N H S H O OH N N H IC50 = 830.0 nM 365.41 O=C(N[C@H](Cc1nc2ccccc2[nH]1)C(=O)O)c1cc2ccccc2s1 Homo sapiens CHEMBL1065476 single protein format
CHEMBL4565715 OBDepict O O O IC50 = 874.0 nM 406.48 c1ccc(COc2cc(OCc3ccccc3)c3c(-c4ccccc4)coc3c2)cc1 Homo sapiens CHEMBL4341810 assay format
CHEMBL2409074 OBDepict HO O N H H O F IC50 = 890.0 nM 377.42 O=C(O)C[C@@H](C/C=C/c1cccc(F)c1)NC(=O)c1ccc2ccccc2c1 Homo sapiens CHEMBL2410561 single protein format
CHEMBL1090715 OBDepict F HN H O HO O Ki = 890.0 nM 363.39 O=C(N[C@H](C/C=C/c1cccc(F)c1)C(=O)O)c1ccc2ccccc2c1 Homo sapiens CHEMBL1109788 single protein format
CHEMBL4747066 OBDepict HO O NH N S N N H O O IC50 = 950.0 nM 424.48 O=C(O)CNc1nc(N2CC3(COC3)C2)sc1C(=O)Nc1ccc2ccccc2c1 Homo sapiens CHEMBL4688201 assay format
CHEMBL4445121 OBDepict O HN S O O N N O IC50 = 1000.0 nM 561.66 O=C(NS(=O)(=O)c1ccccc1)c1ccc(-c2nc3ccccc3n2CCCOc2cccc3ccccc23)cc1 Homo sapiens CHEMBL4392788 assay format
CHEMBL3322222 OBDepict HO O N H N N O H Ki = 1000.0 nM 359.39 O=C(NC(Cc1nc2ccccc2[nH]1)C(=O)O)c1ccc2ccccc2c1 Homo sapiens CHEMBL3378164 single protein format