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P55072 | TERA_HUMAN | Transitional endoplasmic reticulum ATPase (VCP)

3D structures mapped by conservation among orthologs

[ Domain: "double psi" // CDC48_N ]

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[ Domain: "AAA+ ATPase lid domain" // CDC48 ]

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[ Domain: "AAA+ ATPase lid domain" // Vps4_C_C ]

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[ Domain: "P-loop containing nucleoside triphosphate hydrolases" // Sigma54_activat,Vps4_C_C ]

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[ Domain: "P-loop containing nucleoside triphosphate hydrolases" // Sigma54_activat ]

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[ Domain: "Cdc48 domain 2-like" // CDC48_2 ]

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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
CHEMBL3747448 OBDepict H 2 N O N H 3 C N N N H IC50 = 6.0 nM 411.51 Cc1cc2c(C(N)=O)cccc2n1-c1nc2c(c(NCc3ccccc3)n1)CCCC2 Homo sapiens CHEMBL3749463 single protein format
CHEMBL4450581 OBDepict CH 3 HN CH 3 CH 3 O N N N S N IC50 = 7.0 nM 461.64 Cc1cc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)ccc1C#CCNC(C)C Homo sapiens CHEMBL4356079 single protein format
CHEMBL4476693 OBDepict CH 3 N HN O O F F O N N S N D D D D D D D D D IC50 = 8.0 nM 590.74 [2H]C1([2H])C([2H])([2H])C([2H])([2H])C([2H])(Sc2ncc(COc3cc(F)c(C#CCOC(=O)NC4CCN(C)CC4)cc3F)n2-c2cccnc2)C1([2H])[2H] Homo sapiens CHEMBL4356079 single protein format
CHEMBL3747513 OBDepict H 2 N O N H 3 C N N N H O IC50 = 11.0 nM 413.48 Cc1cc2c(C(N)=O)cccc2n1-c1nc2c(c(NCc3ccccc3)n1)COCC2 Homo sapiens CHEMBL3749463 single protein format
CHEMBL3746179 OBDepict H N N N N N H 3 C N N N H NH IC50 = 15.0 nM 437.51 Cc1cc2c(-c3nnn[nH]3)cccc2n1-c1nc2c(c(NCc3ccccc3)n1)CNCC2 Homo sapiens CHEMBL3749463 single protein format
CHEMBL4280801 OBDepict H 3 C N N N H N N H F IC50 = 20.0 nM 475.66 CN1CCN(C2(CNC3CCN(c4cccc(-c5cc6cc(F)ccc6[nH]5)c4)CC3)CCC2)CC1 Homo sapiens CHEMBL4270229 assay format
CHEMBL3747049 OBDepict H 2 N O N H 3 C N N N H O IC50 = 23.0 nM 413.48 Cc1cc2c(C(N)=O)cccc2n1-c1nc2c(c(NCc3ccccc3)n1)CCOC2 Homo sapiens CHEMBL3749463 single protein format
CHEMBL2311578 OBDepict H 3 C O N N S N O O CH 3 S N IC50 = 24.0 nM 520.68 Cc1cc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)ccc1-c1ccc(S(C)(=O)=O)cc1 Homo sapiens CHEMBL2317274 cell-based format
CHEMBL2315422 OBDepict H 3 C O N N S N O O NH 2 S N IC50 = 25.0 nM 521.67 Cc1cc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)ccc1-c1ccc(S(N)(=O)=O)cc1 Homo sapiens CHEMBL2317274 cell-based format
CHEMBL3361184 OBDepict OH O H H HN N N NH IC50 = 27.0 nM 416.53 O=C(O)[C@H]1CC[C@H](CNc2nc(NCc3ccccc3)cc(-c3ccccc3)n2)CC1 Homo sapiens CHEMBL3375358 cell-based format
CHEMBL4846448 OBDepict H 3 C NH O N H 3 C N N N H O CH 3 B OH HO IC50 = 32.0 nM 469.31 CC#CC(=O)Nc1cccc2c1cc(C)n2-c1ncc(OC)c(NCc2cccc(B(O)O)c2)n1 Homo sapiens CHEMBL4821396 single protein format
CHEMBL4451017 OBDepict CH 3 N N N N H S N H O O O IC50 = 34.6 nM 489.6 Cc1cc2c(NS(=O)(=O)C3CC3)cccc2n1-c1nc2c(c(NCc3ccccc3)n1)COCC2 Homo sapiens CHEMBL4332395 single protein format
CHEMBL3361185 OBDepict OH O H H HN N N NH IC50 = 36.0 nM 402.5 O=C(O)[C@H]1CC[C@H](CNc2nc(Nc3ccccc3)cc(-c3ccccc3)n2)CC1 Homo sapiens CHEMBL3375358 cell-based format
CHEMBL4461505 OBDepict CH 3 N N N N H S NH O O CH 3 O IC50 = 36.4 nM 463.56 Cc1cc2c(NS(C)(=O)=O)cccc2n1-c1nc2c(c(NCc3ccccc3)n1)COCC2 Homo sapiens CHEMBL4332395 single protein format
CHEMBL3747647 OBDepict H 2 N O N H 3 C N N N H NH IC50 = 40.0 nM 412.5 Cc1cc2c(C(N)=O)cccc2n1-c1nc2c(c(NCc3ccccc3)n1)CNCC2 Homo sapiens CHEMBL3749463 single protein format
CHEMBL2315430 OBDepict NH 2 O O N N N S N IC50 = 41.0 nM 471.59 NC(=O)c1ccc(-c2ccc(OCc3nnc(SC4CCCC4)n3-c3cccnc3)cc2)cc1 Homo sapiens CHEMBL2317274 cell-based format
CHEMBL2315431 OBDepict H 3 C NH O O N N N S N IC50 = 42.0 nM 485.61 CNC(=O)c1ccc(-c2ccc(OCc3nnc(SC4CCCC4)n3-c3cccnc3)cc2)cc1 Homo sapiens CHEMBL2317274 cell-based format
CHEMBL3696924 OBDepict CH 3 O N N N N H IC50 = 43.0 nM 384.48 COc1cc2ccccc2n1-c1nc2c(c(NCc3ccccc3)n1)CCCC2 Homo sapiens CHEMBL3749463 single protein format
CHEMBL2315427 OBDepict CH 3 O HN O O N N N S N IC50 = 43.0 nM 501.61 CONC(=O)c1ccc(-c2ccc(OCc3nnc(SC4CCCC4)n3-c3cccnc3)cc2)cc1 Homo sapiens CHEMBL2317274 cell-based format
CHEMBL4445673 OBDepict N N H N N H N N CH 3 H 3 C IC50 = 44.0 nM 470.67 CC(C)N1CCN(CCNC2CCN(c3cccc(-c4cc5cc(C#N)ccc5[nH]4)c3)CC2)CC1 Homo sapiens CHEMBL4356081 single protein format
CHEMBL4862740 OBDepict OH B HO NH N N N CH 3 N H S O O CH 3 IC50 = 45.6 nM 505.41 Cc1cc2c(NS(C)(=O)=O)cccc2n1-c1nc2c(c(NCc3cccc(B(O)O)c3)n1)CCCC2 Homo sapiens CHEMBL4821396 single protein format
CHEMBL3361210 OBDepict F N N H N HN H H O NH 2 IC50 = 46.0 nM 433.53 NC(=O)[C@H]1CC[C@H](CNc2nc(NCc3ccccc3)cc(-c3ccccc3F)n2)CC1 Homo sapiens CHEMBL3375358 cell-based format
CHEMBL3696915 OBDepict CH 3 N N N NH IC50 = 47.0 nM 368.48 Cc1cc2ccccc2n1-c1nc2c(c(NCc3ccccc3)n1)CCCC2 Homo sapiens CHEMBL3749463 single protein format
CHEMBL2315428 OBDepict HO O O N N N S N IC50 = 48.0 nM 486.6 O=C(CO)c1ccc(-c2ccc(OCc3nnc(SC4CCCC4)n3-c3cccnc3)cc2)cc1 Homo sapiens CHEMBL2317274 cell-based format
CHEMBL4288865 OBDepict F N H N N H N CH 3 CH 3 IC50 = 50.0 nM 434.6 CC(C)N1CCC(NC2CCN(c3cccc(-c4cc5cc(F)ccc5[nH]4)c3)CC2)CC1 Homo sapiens CHEMBL4270229 assay format
CHEMBL3787674 OBDepict CH 3 N CH 3 N N H N N H + N O _ O IC50 = 50.0 nM 490.65 CC(C)N1CCN(CCNC2CCN(c3cccc(-c4cc5cc([N+](=O)[O-])ccc5[nH]4)c3)CC2)CC1 Homo sapiens CHEMBL3789455 assay format
CHEMBL2315424 OBDepict CH 3 O N N N O CH 3 S N IC50 = 53.0 nM 484.63 CC(=O)c1ccc(-c2ccc(OCc3nnc(SC4CCCC4)n3-c3cccnc3)cc2C)cc1 Homo sapiens CHEMBL2317274 cell-based format
CHEMBL2315423 OBDepict CH 3 HN O CH 3 O N N N S N IC50 = 54.0 nM 499.64 CNC(=O)c1ccc(-c2ccc(OCc3nnc(SC4CCCC4)n3-c3cccnc3)cc2C)cc1 Homo sapiens CHEMBL2317274 cell-based format
CHEMBL4871978 OBDepict OH B HO N H N N N CH 3 N H S O O CH 3 IC50 = 54.7 nM 491.38 Cc1cc2c(NS(C)(=O)=O)cccc2n1-c1nc2c(c(NCc3cccc(B(O)O)c3)n1)CCC2 Homo sapiens CHEMBL4821396 single protein format
CHEMBL4858461 OBDepict HO B OH N H N N N H 3 C N H O O IC50 = 57.3 nM 507.36 Cc1cc2c(NC(=O)c3ccco3)cccc2n1-c1nc2c(c(NCc3cccc(B(O)O)c3)n1)CCC2 Homo sapiens CHEMBL4821396 single protein format
CHEMBL2315421 OBDepict H 3 C O NH O H 3 C O N N N S N IC50 = 58.0 nM 515.64 CONC(=O)c1ccc(-c2ccc(OCc3nnc(SC4CCCC4)n3-c3cccnc3)cc2C)cc1 Homo sapiens CHEMBL2317274 cell-based format
CHEMBL4453010 OBDepict CH 2 N H O N CH 3 N N NH O IC50 = 58.3 nM 439.52 C=CC(=O)Nc1cccc2c1cc(C)n2-c1nc2c(c(NCc3ccccc3)n1)COCC2 Homo sapiens CHEMBL4332395 single protein format
CHEMBL4854511 OBDepict H 3 C NH O N H 3 C N N N H B OH HO IC50 = 58.6 nM 479.35 CC#CC(=O)Nc1cccc2c1cc(C)n2-c1nc2c(c(NCc3cccc(B(O)O)c3)n1)CCC2 Homo sapiens CHEMBL4821396 single protein format
CHEMBL3361216 OBDepict CH 3 N H O N HN N NH H H O H 2 N IC50 = 59.0 nM 472.59 CC(=O)Nc1ccc(-c2cc(NCc3ccccc3)nc(NC[C@H]3CC[C@H](C(N)=O)CC3)n2)cc1 Homo sapiens CHEMBL3375358 cell-based format
CHEMBL3361178 OBDepict _ O + N O NH 2 N N H N H H O HO IC50 = 60.0 nM 447.5 Nc1ccc(-c2cc(-c3ccccc3)nc(NC[C@H]3CC[C@H](C(=O)O)CC3)n2)cc1[N+](=O)[O-] Homo sapiens CHEMBL3375358 cell-based format
CHEMBL3361223 OBDepict NH 2 O H H N H N N HN O IC50 = 61.0 nM 455.56 NC(=O)[C@H]1CC[C@H](CNc2nc(NCc3ccccc3)cc(-c3cc4ccccc4o3)n2)CC1 Homo sapiens CHEMBL3375358 cell-based format
CHEMBL2315432 OBDepict CH 3 S O O O N N N S N IC50 = 63.0 nM 506.65 CS(=O)(=O)c1ccc(-c2ccc(OCc3nnc(SC4CCCC4)n3-c3cccnc3)cc2)cc1 Homo sapiens CHEMBL2317274 cell-based format
CHEMBL2315433 OBDepict CH 3 O O N N N S N IC50 = 65.0 nM 470.6 CC(=O)c1ccc(-c2ccc(OCc3nnc(SC4CCCC4)n3-c3cccnc3)cc2)cc1 Homo sapiens CHEMBL2317274 cell-based format
CHEMBL2315425 OBDepict O CH 3 O N N N S N IC50 = 67.0 nM 470.6 Cc1cc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)ccc1-c1ccc(C=O)cc1 Homo sapiens CHEMBL2317274 cell-based format
CHEMBL3696925 OBDepict OH N N N N H IC50 = 68.0 nM 384.48 OCc1cc2ccccc2n1-c1nc2c(c(NCc3ccccc3)n1)CCCC2 Homo sapiens CHEMBL3749463 single protein format
CHEMBL1076555 OBDepict OH N H S N Cl IC50 = 70.0 nM 302.79 Oc1ccc(Nc2nc(-c3ccc(Cl)cc3)cs2)cc1 Homo sapiens CHEMBL1102721 single protein format
CHEMBL4280125 OBDepict F N H N N H N N CH 3 CH 3 IC50 = 70.0 nM 463.65 CC(C)N1CCN(CCNC2CCN(c3cccc(-c4cc5cc(F)ccc5[nH]4)c3)CC2)CC1 Homo sapiens CHEMBL4270229 assay format
CHEMBL3745888 OBDepict H 2 N O N H 3 C N N N H N H IC50 = 71.0 nM 412.5 Cc1cc2c(C(N)=O)cccc2n1-c1nc2c(c(NCc3ccccc3)n1)CCNC2 Homo sapiens CHEMBL3749463 single protein format
CHEMBL2315420 OBDepict N CH 3 O N N N S N IC50 = 71.0 nM 467.6 Cc1cc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)ccc1-c1ccc(C#N)cc1 Homo sapiens CHEMBL2317274 cell-based format
CHEMBL3361224 OBDepict H N N N N H N HN H H O H 2 N IC50 = 71.0 nM 455.57 NC(=O)[C@H]1CC[C@H](CNc2nc(NCc3ccccc3)cc(-c3ccc4[nH]ncc4c3)n2)CC1 Homo sapiens CHEMBL3375358 cell-based format
CHEMBL2315450 OBDepict F Cl O N N N S N IC50 = 71.0 nM 404.9 Fc1cc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)ccc1Cl Homo sapiens CHEMBL2317274 cell-based format
CHEMBL2315429 OBDepict NH 2 S O O O N N N S N IC50 = 71.0 nM 507.64 NS(=O)(=O)c1ccc(-c2ccc(OCc3nnc(SC4CCCC4)n3-c3cccnc3)cc2)cc1 Homo sapiens CHEMBL2317274 cell-based format
CHEMBL3361225 OBDepict H 2 N O H H N H N N NH S IC50 = 74.0 nM 471.63 NC(=O)[C@H]1CC[C@H](CNc2nc(NCc3ccccc3)cc(-c3csc4ccccc34)n2)CC1 Homo sapiens CHEMBL3375358 cell-based format
CHEMBL3746353 OBDepict CH 3 O N N N N N H IC50 = 76.0 nM 385.47 COc1nc2ccccc2n1-c1nc2c(c(NCc3ccccc3)n1)CCCC2 Homo sapiens CHEMBL3749463 single protein format
CHEMBL1080890 OBDepict NH 2 N H S N Cl IC50 = 80.0 nM 301.8 Nc1ccc(Nc2nc(-c3ccc(Cl)cc3)cs2)cc1 Homo sapiens CHEMBL1102721 single protein format
CHEMBL3361226 OBDepict H N N N H N HN H H O H 2 N IC50 = 82.0 nM 454.58 NC(=O)[C@H]1CC[C@H](CNc2nc(NCc3ccccc3)cc(-c3ccc4[nH]ccc4c3)n2)CC1 Homo sapiens CHEMBL3375358 cell-based format
CHEMBL4455739 OBDepict H 3 C N N N O H 2 N HN IC50 = 82.8 nM 425.54 Cc1cc2c(C(N)=O)cccc2n1-c1nc2c(c(NCc3ccccc3)n1)CCCCC2 Homo sapiens CHEMBL4332395 single protein format
CHEMBL3361211 OBDepict CH 3 O N N H N NH H H O H 2 N IC50 = 87.0 nM 457.58 CC(=O)c1cccc(-c2cc(NCc3ccccc3)nc(NC[C@H]3CC[C@H](C(N)=O)CC3)n2)c1 Homo sapiens CHEMBL3375358 cell-based format
CHEMBL2315451 OBDepict N O N N N S N IC50 = 88.0 nM 453.57 N#Cc1ccc(-c2ccc(OCc3nnc(SC4CCCC4)n3-c3cccnc3)cc2)cc1 Homo sapiens CHEMBL2317274 cell-based format
CHEMBL4876550 OBDepict OH B HO NH N N N CH 3 N H S O O CH 3 IC50 = 88.9 nM 501.38 Cc1cc2c(NS(C)(=O)=O)cccc2n1-c1nc(NCc2cccc(B(O)O)c2)c2ccccc2n1 Homo sapiens CHEMBL4821396 single protein format
CHEMBL3361217 OBDepict OH N N H N NH H H O H 2 N IC50 = 89.0 nM 445.57 NC(=O)[C@H]1CC[C@H](CNc2nc(NCc3ccccc3)cc(-c3ccc(CO)cc3)n2)CC1 Homo sapiens CHEMBL3375358 cell-based format
CHEMBL4872975 OBDepict H 3 C NH O N H 3 C N N HN B OH HO IC50 = 89.8 nM 493.38 CC#CC(=O)Nc1cccc2c1cc(C)n2-c1nc2c(c(NCc3cccc(B(O)O)c3)n1)CCCC2 Homo sapiens CHEMBL4821396 single protein format
CHEMBL2315452 OBDepict Cl Cl O N N N S N IC50 = 90.0 nM 421.35 Clc1ccc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)cc1Cl Homo sapiens CHEMBL2317274 cell-based format
CHEMBL4277404 OBDepict F N H N N H N O N CH 3 H 3 C IC50 = 90.0 nM 505.68 CC(C)N1CCN(C2(CNC3CCN(c4cccc(-c5cc6cc(F)ccc6[nH]5)c4)CC3)COC2)CC1 Homo sapiens CHEMBL4270229 assay format
CHEMBL4871208 OBDepict HO B OH HN N N N O H 3 C N H O O IC50 = 91.0 nM 523.36 Cc1cc2c(NC(=O)c3ccco3)cccc2n1-c1nc2c(c(NCc3cccc(B(O)O)c3)n1)COCC2 Homo sapiens CHEMBL4821396 single protein format
CHEMBL1076570 OBDepict OH N H N O IC50 = 91.0 nM 252.27 Oc1ccc(Nc2ncc(-c3ccccc3)o2)cc1 Homo sapiens CHEMBL1102721 single protein format
CHEMBL4848009 OBDepict HC NH O N H 3 C N N N H B OH HO IC50 = 91.4 nM 465.32 C#CC(=O)Nc1cccc2c1cc(C)n2-c1nc2c(c(NCc3cccc(B(O)O)c3)n1)CCC2 Homo sapiens CHEMBL4821396 single protein format
CHEMBL4859176 OBDepict HO B OH HN N N N H 3 C N H O O IC50 = 93.4 nM 521.39 Cc1cc2c(NC(=O)c3ccco3)cccc2n1-c1nc2c(c(NCc3cccc(B(O)O)c3)n1)CCCC2 Homo sapiens CHEMBL4821396 single protein format
CHEMBL3746650 OBDepict HO O N H 3 C N N N H NH IC50 = 95.0 nM 413.48 Cc1cc2c(C(=O)O)cccc2n1-c1nc2c(c(NCc3ccccc3)n1)CNCC2 Homo sapiens CHEMBL3749463 single protein format
CHEMBL4847081 OBDepict CH 3 O N HN N N CH 3 B N H HO OH O O IC50 = 97.4 nM 497.32 COc1cnc(-n2c(C)cc3c(NC(=O)c4ccco4)cccc32)nc1NCc1cccc(B(O)O)c1 Homo sapiens CHEMBL4821396 single protein format
CHEMBL3747498 OBDepict CH 3 N N N N NH IC50 = 98.0 nM 369.47 Cc1nc2ccccc2n1-c1nc2c(c(NCc3ccccc3)n1)CCCC2 Homo sapiens CHEMBL3749463 single protein format
CHEMBL4291440 OBDepict F N H N N H N N CH 3 H 3 C IC50 = 100.0 nM 503.71 CC(C)N1CCN(C2(CNC3CCN(c4cccc(-c5cc6cc(F)ccc6[nH]5)c4)CC3)CCC2)CC1 Homo sapiens CHEMBL4270229 assay format
CHEMBL2315453 OBDepict CH 3 Br O N N N S N IC50 = 100.0 nM 445.39 Cc1cc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)ccc1Br Homo sapiens CHEMBL2317274 cell-based format
CHEMBL4573319 OBDepict H 3 C N N N N H S HN O O F F F O IC50 = 100.9 nM 517.53 Cc1cc2c(NS(=O)(=O)C(F)(F)F)cccc2n1-c1nc2c(c(NCc3ccccc3)n1)COCC2 Homo sapiens CHEMBL4332395 single protein format
CHEMBL3361218 OBDepict CH 3 O N N H N NH H H O H 2 N IC50 = 102.0 nM 457.58 CC(=O)c1ccc(-c2cc(NCc3ccccc3)nc(NC[C@H]3CC[C@H](C(N)=O)CC3)n2)cc1 Homo sapiens CHEMBL3375358 cell-based format
CHEMBL3361212 OBDepict OH N N H N HN H H O H 2 N IC50 = 106.0 nM 431.54 NC(=O)[C@H]1CC[C@H](CNc2nc(NCc3ccccc3)cc(-c3cccc(O)c3)n2)CC1 Homo sapiens CHEMBL3375358 cell-based format
CHEMBL3361219 OBDepict Cl N N H N HN H H O NH 2 IC50 = 106.0 nM 449.99 NC(=O)[C@H]1CC[C@H](CNc2nc(NCc3ccccc3)cc(-c3ccc(Cl)cc3)n2)CC1 Homo sapiens CHEMBL3375358 cell-based format
CHEMBL3361227 OBDepict NH 2 O H H HN N N NH N IC50 = 109.0 nM 416.53 NC(=O)[C@H]1CC[C@H](CNc2nc(NCc3ccccc3)cc(-c3cccnc3)n2)CC1 Homo sapiens CHEMBL3375358 cell-based format
CHEMBL1081262 OBDepict OH N H S N S IC50 = 110.0 nM 274.37 Oc1ccc(Nc2nc(-c3cccs3)cs2)cc1 Homo sapiens CHEMBL1102721 single protein format
CHEMBL3361177 OBDepict NH 2 N N H N H H O OH IC50 = 112.0 nM 402.5 Nc1ccc(-c2cc(-c3ccccc3)nc(NC[C@H]3CC[C@H](C(=O)O)CC3)n2)cc1 Homo sapiens CHEMBL3375358 cell-based format
CHEMBL2315434 OBDepict O O N N N S N IC50 = 112.0 nM 456.57 O=Cc1ccc(-c2ccc(OCc3nnc(SC4CCCC4)n3-c3cccnc3)cc2)cc1 Homo sapiens CHEMBL2317274 cell-based format
CHEMBL4864700 OBDepict CH 3 N H O N CH 3 N N HN B OH HO IC50 = 113.7 nM 489.34 CC#CC(=O)Nc1cccc2c1cc(C)n2-c1nc(NCc2cccc(B(O)O)c2)c2ccccc2n1 Homo sapiens CHEMBL4821396 single protein format
CHEMBL3360670 OBDepict HO O H H N H N N S O O CH 3 IC50 = 116.0 nM 465.58 CS(=O)(=O)c1cccc(-c2cc(-c3ccccc3)nc(NC[C@H]3CC[C@H](C(=O)O)CC3)n2)c1 Homo sapiens CHEMBL3375358 cell-based format
CHEMBL4877447 OBDepict H 3 C NH O N H 3 C N N HN O B OH HO IC50 = 117.0 nM 495.35 CC#CC(=O)Nc1cccc2c1cc(C)n2-c1nc2c(c(NCc3cccc(B(O)O)c3)n1)COCC2 Homo sapiens CHEMBL4821396 single protein format
CHEMBL4858094 OBDepict OH B HO NH N N N O CH 3 N H S O O CH 3 IC50 = 117.2 nM 507.38 Cc1cc2c(NS(C)(=O)=O)cccc2n1-c1nc2c(c(NCc3cccc(B(O)O)c3)n1)COCC2 Homo sapiens CHEMBL4821396 single protein format
CHEMBL4439188 OBDepict H 3 C N N N O H 2 N HN IC50 = 119.7 nM 439.56 Cc1cc2c(C(N)=O)cccc2n1-c1nc2c(c(NCc3ccccc3)n1)CCCCCC2 Homo sapiens CHEMBL4332395 single protein format
CHEMBL1081994 OBDepict CH 3 O O N N H HO IC50 = 120.0 nM 282.3 COc1ccccc1-c1cnc(Nc2ccc(O)cc2)o1 Homo sapiens CHEMBL1102721 single protein format
CHEMBL1081626 OBDepict OH N H S N HO IC50 = 120.0 nM 284.34 Oc1ccc(Nc2nc(-c3cccc(O)c3)cs2)cc1 Homo sapiens CHEMBL1102721 single protein format
CHEMBL3361188 OBDepict NH 2 O H H HN N N NH IC50 = 127.0 nM 415.54 NC(=O)[C@H]1CC[C@H](CNc2nc(NCc3ccccc3)cc(-c3ccccc3)n2)CC1 Homo sapiens CHEMBL3375358 cell-based format
CHEMBL4530376 OBDepict CH 3 HN O N CH 3 N N NH O IC50 = 129.4 nM 427.51 CC(=O)Nc1cccc2c1cc(C)n2-c1nc2c(c(NCc3ccccc3)n1)COCC2 Homo sapiens CHEMBL4332395 single protein format
CHEMBL1082184 OBDepict OH N H N O N O IC50 = 130.0 nM 337.38 Oc1ccc(Nc2ncc(-c3ccc(N4CCOCC4)cc3)o2)cc1 Homo sapiens CHEMBL1102721 single protein format
CHEMBL3361190 OBDepict O N H H S O O CH 3 H HN N N NH IC50 = 133.0 nM 493.63 CS(=O)(=O)NC(=O)[C@H]1CC[C@H](CNc2nc(NCc3ccccc3)cc(-c3ccccc3)n2)CC1 Homo sapiens CHEMBL3375358 cell-based format
CHEMBL2315454 OBDepict Cl CH 3 H 3 C O N N N S N IC50 = 134.0 nM 414.96 Cc1cc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)cc(C)c1Cl Homo sapiens CHEMBL2317274 cell-based format
CHEMBL4461462 OBDepict H 3 C N N N N H S N H O O O IC50 = 134.9 nM 525.63 Cc1cc2c(NS(=O)(=O)c3ccccc3)cccc2n1-c1nc2c(c(NCc3ccccc3)n1)COCC2 Homo sapiens CHEMBL4332395 single protein format
CHEMBL3361213 OBDepict OH N NH N N H H H O H 2 N IC50 = 135.0 nM 445.57 NC(=O)[C@H]1CC[C@H](CNc2nc(NCc3ccccc3)cc(-c3cccc(CO)c3)n2)CC1 Homo sapiens CHEMBL3375358 cell-based format
CHEMBL2315444 OBDepict Cl O N N N S N IC50 = 140.0 nM 386.91 Clc1ccc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)cc1 Homo sapiens CHEMBL2317274 cell-based format
CHEMBL1082173 OBDepict OH N H N O Cl IC50 = 140.0 nM 286.72 Oc1ccc(Nc2ncc(-c3cccc(Cl)c3)o2)cc1 Homo sapiens CHEMBL1102721 single protein format
CHEMBL3360663 OBDepict F N N H N H H O HO IC50 = 141.0 nM 405.47 O=C(O)[C@H]1CC[C@H](CNc2nc(-c3ccccc3)cc(-c3ccccc3F)n2)CC1 Homo sapiens CHEMBL3375358 cell-based format
CHEMBL3746000 OBDepict N N H 3 C N N NH NH IC50 = 144.0 nM 394.48 Cc1cc2c(C#N)cccc2n1-c1nc2c(c(NCc3ccccc3)n1)CNCC2 Homo sapiens CHEMBL3749463 single protein format
CHEMBL3696863 OBDepict CH 3 O N N N HN O N H 3 C IC50 = 145.0 nM 411.47 COc1cccc2c(NCc3ccccc3)nc(-n3c(OC)nc4ccccc43)nc12 Homo sapiens CHEMBL3749463 single protein format
CHEMBL3352905 OBDepict CH 3 O N NH N N H H H O NH 2 IC50 = 149.0 nM 445.57 COc1cccc(-c2cc(NCc3ccccc3)nc(NC[C@H]3CC[C@H](C(N)=O)CC3)n2)c1 Homo sapiens CHEMBL3375358 cell-based format
CHEMBL3747075 OBDepict H 3 C N H N N HN IC50 = 149.0 nM 368.48 Cc1[nH]c2ccccc2c1-c1nc2c(c(NCc3ccccc3)n1)CCCC2 Homo sapiens CHEMBL3749463 single protein format
CHEMBL2315455 OBDepict Cl H 3 C O N N N S N IC50 = 150.0 nM 400.94 Cc1ccc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)cc1Cl Homo sapiens CHEMBL2317274 cell-based format
CHEMBL3361179 OBDepict H N N N H N H H O OH IC50 = 150.0 nM 426.52 O=C(O)[C@H]1CC[C@H](CNc2nc(-c3ccccc3)cc(-c3ccc4[nH]ccc4c3)n2)CC1 Homo sapiens CHEMBL3375358 cell-based format
CHEMBL3696861 OBDepict CH 3 O N N N HN H 3 C N IC50 = 152.0 nM 395.47 COc1cccc2c(NCc3ccccc3)nc(-n3c(C)nc4ccccc43)nc12 Homo sapiens CHEMBL3749463 single protein format