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Q9HBA0 | TRPV4_HUMAN | Transient receptor potential cation channel subfamily V member 4 (TRPV4)

3D structures mapped by conservation among orthologs

[ Domain: "Ankyrin repeat" // Ank_2 ]

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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
CHEMBL2323960 OBDepict N N N H O N O Br IC50 = 0.001 nM 479.38 N#Cc1ccc2ncn(C[C@H]3CCC[C@]4(C3)CN(Cc3cccc(Br)c3)C(=O)O4)c2c1 Homo sapiens CHEMBL2327244 single protein format
CHEMBL2323961 OBDepict N N N H 3 C O N O F IC50 = 0.001 nM 432.5 C[C@]1(Cn2cnc3ccc(C#N)cc32)CCC[C@@]2(CN(Cc3ccccc3F)C(=O)O2)C1 Homo sapiens CHEMBL2327244 single protein format
CHEMBL2323962 OBDepict N N O N N O N O CH 3 IC50 = 0.001 nM 469.55 COc1ccc(CN2C[C@@]3(CCC[C@](CC#N)(Cn4cnc5ccc(C#N)cc54)C3)OC2=O)cc1 Homo sapiens CHEMBL2327244 single protein format
CHEMBL4096902 OBDepict N N N N N O N NH S N S H 3 C N H 3 C IC50 = 0.18 nM 529.66 Cc1nc(C)c(-c2csc(Nc3ccc(C(=O)N4C5CCC4CN(c4ncc(C#N)cn4)C5)cn3)n2)s1 Homo sapiens CHEMBL4050581 cell-based format
CHEMBL4101768 OBDepict H 3 C N S CH 3 N S NH N N O O N N N F F F IC50 = 0.19 nM 588.64 Cc1nc(C)c(-c2csc(Nc3ccc(C(=O)N4C5COCC4CN(c4ncc(C(F)(F)F)cn4)C5)cn3)n2)s1 Homo sapiens CHEMBL4050581 cell-based format
CHEMBL4066531 OBDepict Br N N N N O N NH S N S H 3 C N H 3 C IC50 = 0.21 nM 583.54 Cc1nc(C)c(-c2csc(Nc3ccc(C(=O)N4C5CCC4CN(c4ncc(Br)cn4)C5)cn3)n2)s1 Homo sapiens CHEMBL4050581 cell-based format
CHEMBL3941914 OBDepict H 3 C N S CH 3 N S NH N N O N N N F F F IC50 = 0.22 nM 572.64 Cc1nc(C)c(-c2csc(Nc3ccc(C(=O)N4C5CCC4CN(c4ncc(C(F)(F)F)cn4)C5)cn3)n2)s1 Homo sapiens CHEMBL3855632 single protein format
CHEMBL3971502 OBDepict Cl N N N N O N NH S N S H 3 C N H 3 C IC50 = 0.3 nM 539.09 Cc1nc(C)c(-c2csc(Nc3ccc(C(=O)N4C5CCC4CN(c4ncc(Cl)cn4)C5)cn3)n2)s1 Homo sapiens CHEMBL3855632 single protein format
CHEMBL4456312 OBDepict NH 2 HO N H S S O O Cl O O Cl N IC50 = 0.3 nM 490.39 N#Cc1ccc(S(=O)(=O)N2C[C@H](S(=O)(=O)c3ccc(Cl)cc3)[C@](O)(CN)C2)c(Cl)c1 Homo sapiens CHEMBL4384769 cell-based format
CHEMBL4077638 OBDepict F N N N N O N NH S N S H 3 C N H 3 C IC50 = 0.31 nM 522.64 Cc1nc(C)c(-c2csc(Nc3ccc(C(=O)N4C5CCC4CN(c4ncc(F)cn4)C5)cn3)n2)s1 Homo sapiens CHEMBL4050581 cell-based format
CHEMBL3984947 OBDepict CH 3 N S H 3 C N S N H N N O H H N O F F F IC50 = 0.36 nM 536.61 Cc1nc(C)c(-c2csc(Nc3ccc(C(=O)N4[C@H]5CC[C@@H]4C/C(=NOCC(F)(F)F)C5)cn3)n2)s1 Homo sapiens CHEMBL3855632 single protein format
CHEMBL4078117 OBDepict H 3 C N S CH 3 N S NH N N O N N N S O O CH 3 IC50 = 0.39 nM 582.74 Cc1nc(C)c(-c2csc(Nc3ccc(C(=O)N4C5CCC4CN(c4ncc(S(C)(=O)=O)cn4)C5)cn3)n2)s1 Homo sapiens CHEMBL4050581 cell-based format
CHEMBL4095552 OBDepict H 3 C N S CH 3 N S NH N N O N N N IC50 = 0.5 nM 504.65 Cc1nc(C)c(-c2csc(Nc3ccc(C(=O)N4C5CCC4CN(c4ncccn4)C5)cn3)n2)s1 Homo sapiens CHEMBL4050581 cell-based format
CHEMBL4469630 OBDepict N N N H 3 C O N O H 3 C H 3 C H 3 C IC50 = 0.5 nM 394.52 CC(C)(C)CN1C[C@@]2(CCC[C@](C)(Cn3cnc4ccc(C#N)cc43)C2)OC1=O Homo sapiens CHEMBL4307491 cell-based format
CHEMBL4547537 OBDepict NH 2 HO N H S S O O N Cl O O Cl N IC50 = 0.5 nM 491.38 N#Cc1ccc(S(=O)(=O)N2C[C@H](S(=O)(=O)c3ccc(Cl)cn3)[C@](O)(CN)C2)c(Cl)c1 Homo sapiens CHEMBL4384769 cell-based format
CHEMBL4461475 OBDepict NH 2 HO N H S S O O N Cl O O Cl N IC50 = 0.5 nM 491.38 N#Cc1ccc(S(=O)(=O)N2C[C@H](S(=O)(=O)c3ccc(Cl)cn3)[C@@](O)(CN)C2)c(Cl)c1 Homo sapiens CHEMBL4384769 cell-based format
CHEMBL3933401 OBDepict CH 3 O N O N F F F O N N H S N S CH 3 N H 3 C IC50 = 0.57 nM 526.57 COC(=O)N1CCN(C(=O)c2ccc(Nc3nc(-c4sc(C)nc4C)cs3)nc2)C(C(F)(F)F)C1 Homo sapiens CHEMBL3855632 single protein format
CHEMBL4060956 OBDepict H 3 C N S CH 3 N S NH N N O H CH 3 N N N F F F IC50 = 0.62 nM 560.63 Cc1nc(C)c(-c2csc(Nc3ccc(C(=O)N4CCN(c5ncc(C(F)(F)F)cn5)C[C@@H]4C)cn3)n2)s1 Homo sapiens CHEMBL4050581 cell-based format
CHEMBL4062935 OBDepict OH N N N N O N HN S N S H 3 C N CH 3 IC50 = 0.65 nM 534.67 Cc1nc(C)c(-c2csc(Nc3ccc(C(=O)N4C5CCC4CN(c4ncc(CO)cn4)C5)cn3)n2)s1 Homo sapiens CHEMBL4050581 cell-based format
CHEMBL4459940 OBDepict F N N CH 3 N H O N S N ClH ClH IC50 = 0.85 nM 540.54 Cc1c(C(=O)Nc2nc(C3CCC3)c(CCN3CCCCC3)s2)cnn1-c1ccc(F)cc1.Cl.Cl Homo sapiens CHEMBL4387487 cell-based format
CHEMBL4084992 OBDepict H 3 C N N CH 3 N S NH N N O N N N F F F IC50 = 0.87 nM 555.59 Cc1nn(C)cc1-c1csc(Nc2ccc(C(=O)N3C4CCC3CN(c3ncc(C(F)(F)F)cn3)C4)cn2)n1 Homo sapiens CHEMBL4050581 cell-based format
CHEMBL3950646 OBDepict Cl N N N O N NH S N S H 3 C N H 3 C IC50 = 0.9 nM 538.1 Cc1nc(C)c(-c2csc(Nc3ccc(C(=O)N4C5CCC4CN(c4ccc(Cl)cn4)C5)cn3)n2)s1 Homo sapiens CHEMBL3855632 single protein format
CHEMBL4083772 OBDepict H 3 C N S CH 3 N S NH N N O N N N F F F IC50 = 0.97 nM 572.64 Cc1nc(C)c(-c2csc(Nc3ccc(C(=O)N4CC5CCC(C4)N5c4ncc(C(F)(F)F)cn4)cn3)n2)s1 Homo sapiens CHEMBL4050581 cell-based format
CHEMBL4091558 OBDepict H 3 C N S CH 3 N S NH N N O N H H 3 C N N F F F IC50 = 0.99 nM 560.63 Cc1nc(C)c(-c2csc(Nc3ccc(C(=O)N4CCN(c5ncc(C(F)(F)F)cn5)[C@H](C)C4)cn3)n2)s1 Homo sapiens CHEMBL4050581 cell-based format
CHEMBL3915150 OBDepict H 3 C O N H N H O N N H S N S CH 3 N H 3 C IC50 = 1.0 nM 468.61 CO/N=C1/C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(Nc2nc(-c3sc(C)nc3C)cs2)nc1 Homo sapiens CHEMBL3855632 single protein format
CHEMBL4168219 OBDepict N S N O O H O HO HO F N F F F IC50 = 1.0 nM 485.42 N#Cc1ccc(O[C@H]2CN(S(=O)(=O)c3ccc(C(F)(F)F)cc3C#N)C[C@@]2(O)CO)cc1F Homo sapiens CHEMBL4158441 cell-based format
CHEMBL3957347 OBDepict H 3 C N S CH 3 N S NH N N O H H N O HO H F F F IC50 = 1.1 nM 566.63 Cc1nc(C)c(-c2csc(Nc3ccc(C(=O)N4[C@H]5CC[C@@H]4C/C(=NOC[C@@H](O)C(F)(F)F)C5)cn3)n2)s1 Homo sapiens CHEMBL3855632 single protein format
CHEMBL4588831 OBDepict N N N H 3 C O N O N N H 3 C H 3 C CH 3 IC50 = 1.2 nM 458.57 CC(C)(C)c1cnc(N2C[C@@]3(CCC[C@](C)(Cn4cnc5ccc(C#N)cc54)C3)OC2=O)cn1 Homo sapiens CHEMBL4307491 cell-based format
CHEMBL4521512 OBDepict H 3 C O N O O CH 3 N N N IC50 = 1.2 nM 430.51 COc1ccccc1N1C[C@@]2(CCC[C@](C)(Cn3cnc4ccc(C#N)cc43)C2)OC1=O Homo sapiens CHEMBL4307491 cell-based format
CHEMBL4578182 OBDepict F N N N CH 3 N H O N S N ClH ClH IC50 = 1.2 nM 541.52 Cc1c(C(=O)Nc2nc(C3CCC3)c(CCN3CCCCC3)s2)cnn1-c1ccc(F)cn1.Cl.Cl Homo sapiens CHEMBL4387487 cell-based format
CHEMBL4080527 OBDepict H 3 C N N CH 3 N S N H N N O N N N F F F IC50 = 1.3 nM 555.59 Cc1cc(-c2csc(Nc3ccc(C(=O)N4C5CCC4CN(c4ncc(C(F)(F)F)cn4)C5)cn3)n2)n(C)n1 Homo sapiens CHEMBL4050581 cell-based format
CHEMBL4536058 OBDepict N N N CH 3 O N O N N IC50 = 1.5 nM 442.52 C[C@]1(Cn2cnc3ccc(C#N)cc32)CCC[C@@]2(CN(c3cnc(C4CC4)cn3)C(=O)O2)C1 Homo sapiens CHEMBL4307491 cell-based format
CHEMBL4532369 OBDepict CH 3 O N O O H 3 C N N N IC50 = 1.6 nM 444.54 CCOc1cccc(N2C[C@@]3(CCC[C@](C)(Cn4cnc5ccc(C#N)cc54)C3)OC2=O)c1 Homo sapiens CHEMBL4307491 cell-based format
CHEMBL4541827 OBDepict N N N H 3 C O N O H 3 C IC50 = 1.7 nM 414.51 Cc1ccccc1N1C[C@@]2(CCC[C@](C)(Cn3cnc4ccc(C#N)cc43)C2)OC1=O Homo sapiens CHEMBL4307491 cell-based format
CHEMBL3924485 OBDepict H 3 C O N O N O N N H S N S CH 3 N H 3 C IC50 = 1.7 nM 484.61 COC(=O)N1CC2CCC(C1)N2C(=O)c1ccc(Nc2nc(-c3sc(C)nc3C)cs2)nc1 Homo sapiens CHEMBL3855632 single protein format
CHEMBL3985107 OBDepict H 3 C O N O N O N NH S N S CH 3 N H 3 C IC50 = 1.8 nM 498.63 COC(=O)N1CC2CCCC(C1)N2C(=O)c1ccc(Nc2nc(-c3sc(C)nc3C)cs2)nc1 Homo sapiens CHEMBL3855632 single protein format
CHEMBL4470585 OBDepict N N N H 3 C O N O N N OH H 3 C H 3 C IC50 = 1.8 nM 460.54 CC(C)(O)c1cnc(N2C[C@@]3(CCC[C@](C)(Cn4cnc5ccc(C#N)cc54)C3)OC2=O)cn1 Homo sapiens CHEMBL4307491 cell-based format
CHEMBL4460657 OBDepict CH 3 N N S N NH O N H 3 C N F IC50 = 1.9 nM 454.58 Cc1c(C(=O)Nc2nc(C3CCC3)c(N3CCN(C)CC3)s2)cnn1-c1ccc(F)cc1 Homo sapiens CHEMBL4387487 cell-based format
CHEMBL3985405 OBDepict CH 3 N H O O H H N H O N N H S N S CH 3 N H 3 C IC50 = 1.9 nM 512.66 CCNC(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(Nc2nc(-c3sc(C)nc3C)cs2)nc1 Homo sapiens CHEMBL3855632 single protein format
CHEMBL4063752 OBDepict H 3 C N S CH 3 N S NH N N O N H H 3 C N N F F F IC50 = 2.0 nM 560.63 Cc1nc(C)c(-c2csc(Nc3ccc(C(=O)N4CCN(c5ncc(C(F)(F)F)cn5)[C@@H](C)C4)cn3)n2)s1 Homo sapiens CHEMBL4050581 cell-based format
CHEMBL4586959 OBDepict OH OH N H S S O O N O O N Cl IC50 = 2.0 nM 481.94 N#Cc1ccc(S(=O)(=O)[C@H]2CN(S(=O)(=O)c3ccc(Cl)cc3C#N)C[C@@]2(O)CO)cc1 Homo sapiens CHEMBL4384769 cell-based format
CHEMBL4439448 OBDepict OH OH N H S S O O F N O O Cl Cl IC50 = 2.0 nM 509.36 N#Cc1ccc(S(=O)(=O)[C@H]2CN(S(=O)(=O)c3ccc(Cl)cc3Cl)C[C@@]2(O)CO)cc1F Homo sapiens CHEMBL4384769 cell-based format
CHEMBL3979114 OBDepict CH 3 S N H 3 C N S N H N N O N F F F IC50 = 2.1 nM 508.6 Cc1nc(C)c(-c2csc(Nc3ccc(C(=O)N4C5CCC4CN(CC(F)(F)F)C5)cn3)n2)s1 Homo sapiens CHEMBL3855632 single protein format
CHEMBL4083195 OBDepict H 3 C N S CH 3 N S NH N N O N N F F F IC50 = 2.2 nM 571.65 Cc1nc(C)c(-c2csc(Nc3ccc(C(=O)N4C5CCC4CN(c4ccc(C(F)(F)F)cn4)C5)cn3)n2)s1 Homo sapiens CHEMBL4050581 cell-based format
CHEMBL4069724 OBDepict H 3 C N S CH 3 N S NH N N O N N N F F F IC50 = 2.2 nM 572.64 Cc1nc(C)c(-c2csc(Nc3ccc(C(=O)N4C5CCC4CN(c4ccc(C(F)(F)F)nn4)C5)cn3)n2)s1 Homo sapiens CHEMBL4050581 cell-based format
CHEMBL4082835 OBDepict H 3 C N S CH 3 N S NH N N O H CH 3 N N N F F F IC50 = 2.4 nM 560.63 Cc1nc(C)c(-c2csc(Nc3ccc(C(=O)N4CCN(c5ncc(C(F)(F)F)cn5)C[C@H]4C)cn3)n2)s1 Homo sapiens CHEMBL4050581 cell-based format
CHEMBL3906685 OBDepict H 3 C O H H N H O N N H S N S CH 3 N H 3 C IC50 = 2.4 nM 455.61 CO[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(Nc2nc(-c3sc(C)nc3C)cs2)nc1 Homo sapiens CHEMBL3855632 single protein format
CHEMBL4164465 OBDepict OH HO N H O S O O Cl Cl F N IC50 = 2.5 nM 461.3 N#Cc1ccc(O[C@H]2CN(S(=O)(=O)c3ccc(Cl)cc3Cl)C[C@@]2(O)CO)cc1F Homo sapiens CHEMBL4158441 cell-based format
CHEMBL4514491 OBDepict N N N CH 3 O N O Cl IC50 = 2.5 nM 434.93 C[C@]1(Cn2cnc3ccc(C#N)cc32)CCC[C@@]2(CN(c3ccccc3Cl)C(=O)O2)C1 Homo sapiens CHEMBL4307491 cell-based format
CHEMBL4090714 OBDepict H 3 C N S CH 3 N S NH N N O N N N F F F IC50 = 2.6 nM 572.64 Cc1nc(C)c(-c2csc(Nc3ccc(C(=O)N4C5CCC4CN(c4cnc(C(F)(F)F)cn4)C5)cn3)n2)s1 Homo sapiens CHEMBL4050581 cell-based format
CHEMBL3908777 OBDepict H 3 C N S CH 3 N S NH N N O N IC50 = 2.8 nM 508.72 Cc1nc(C)c(-c2csc(Nc3ccc(C(=O)N4C5CCC4CN(C4CCCCC4)C5)cn3)n2)s1 Homo sapiens CHEMBL3855632 single protein format
CHEMBL3897222 OBDepict OH O N H N H O N HN S N S H 3 C N CH 3 IC50 = 2.9 nM 512.66 Cc1nc(C)c(-c2csc(Nc3ccc(C(=O)N4[C@H]5CC[C@@H]4C/C(=NOCCCO)C5)cn3)n2)s1 Homo sapiens CHEMBL3855632 single protein format
CHEMBL4588158 OBDepict H 3 C O N N O O CH 3 N N N IC50 = 3.1 nM 445.52 CCOc1ccc(N2C[C@@]3(CCC[C@](C)(Cn4cnc5ccc(C#N)cc54)C3)OC2=O)cn1 Homo sapiens CHEMBL4307491 cell-based format
CHEMBL3979627 OBDepict Cl N N O N NH S N S H 3 C N H 3 C IC50 = 3.2 nM 537.11 Cc1nc(C)c(-c2csc(Nc3ccc(C(=O)N4C5CCC4CN(c4ccc(Cl)cc4)C5)cn3)n2)s1 Homo sapiens CHEMBL3855632 single protein format
CHEMBL3942384 OBDepict CH 3 N S H 3 C N S N H N N O N H O IC50 = 3.2 nM 442.57 Cc1nc(C)c(-c2csc(Nc3ccc(C(=O)N4C5CNCC4COC5)cn3)n2)s1 Homo sapiens CHEMBL3855632 single protein format
CHEMBL4439190 OBDepict OH HO N H S S O O Cl O O Cl N IC50 = 3.2 nM 491.37 N#Cc1ccc(S(=O)(=O)N2C[C@H](S(=O)(=O)c3ccc(Cl)cc3)[C@](O)(CO)C2)c(Cl)c1 Homo sapiens CHEMBL4322960 single protein format
CHEMBL4547101 OBDepict N S O O H N OH S OH O O Cl N IC50 = 3.2 nM 481.94 N#Cc1ccc(S(=O)(=O)[C@H]2CN(S(=O)(=O)c3ccc(C#N)cc3Cl)C[C@@]2(O)CO)cc1 Homo sapiens CHEMBL4384769 cell-based format
CHEMBL2323936 OBDepict N O N N NH N H 3 C CH 3 Cl Cl N O H 3 C H 3 C IC50 = 3.2 nM 583.56 CC(C)Nc1nc2c(C(=O)N(C)C)c(Cl)c(Cl)cc2n1C1CCN(c2ccc(C3(C#N)CCOCC3)cc2)CC1 Homo sapiens CHEMBL2327222 cell-based format
CHEMBL4465116 OBDepict F N N N CH 3 N H O N S N ClH ClH IC50 = 3.3 nM 541.52 Cc1nn(-c2ccc(F)cn2)cc1C(=O)Nc1nc(C2CCC2)c(CCN2CCCCC2)s1.Cl.Cl Homo sapiens CHEMBL4387487 cell-based format
CHEMBL3218116 OBDepict N S Cl N O O HO O F N IC50 = 3.4 nM 421.84 N#Cc1ccc(OCC2(O)CN(S(=O)(=O)c3ccc(Cl)cc3C#N)C2)cc1F Homo sapiens CHEMBL3227453 cell-based format
CHEMBL4517101 OBDepict NH 2 HO N H O S O O Cl Cl F N IC50 = 3.5 nM 460.31 N#Cc1ccc(O[C@H]2CN(S(=O)(=O)c3ccc(Cl)cc3Cl)C[C@@]2(O)CN)cc1F Homo sapiens CHEMBL4322927 cell-based format
CHEMBL3218117 OBDepict N S Cl N O O HO O Cl N IC50 = 3.6 nM 438.29 N#Cc1ccc(OCC2(O)CN(S(=O)(=O)c3ccc(Cl)cc3C#N)C2)cc1Cl Homo sapiens CHEMBL3227453 cell-based format
CHEMBL4075898 OBDepict H 3 C N S CH 3 N N S NH N N O N N N F F F IC50 = 3.7 nM 573.63 Cc1nc(C)c(-c2nsc(Nc3ccc(C(=O)N4C5CCC4CN(c4ncc(C(F)(F)F)cn4)C5)cn3)n2)s1 Homo sapiens CHEMBL4050581 cell-based format
CHEMBL3218118 OBDepict N F O OH N S O O Cl Cl IC50 = 3.8 nM 431.27 N#Cc1ccc(OCC2(O)CN(S(=O)(=O)c3ccc(Cl)cc3Cl)C2)cc1F Homo sapiens CHEMBL3227453 cell-based format
CHEMBL4454801 OBDepict N F O H N HO S HO O O N IC50 = 3.8 nM 417.42 N#Cc1ccc(O[C@H]2CN(S(=O)(=O)c3ccccc3C#N)C[C@@]2(O)CO)cc1F Homo sapiens CHEMBL4322927 cell-based format
CHEMBL4077357 OBDepict H 3 C N S CH 3 N S NH N N O N F F F IC50 = 3.9 nM 570.67 Cc1nc(C)c(-c2csc(Nc3ccc(C(=O)N4C5CCC4CN(c4ccc(C(F)(F)F)cc4)C5)cn3)n2)s1 Homo sapiens CHEMBL4050581 cell-based format
CHEMBL3218119 OBDepict N Cl S N O O HO O Cl N IC50 = 4.0 nM 438.29 N#Cc1ccc(S(=O)(=O)N2CC(O)(COc3ccc(C#N)c(Cl)c3)C2)c(Cl)c1 Homo sapiens CHEMBL3227453 cell-based format
CHEMBL4469982 OBDepict H 3 C O N N N O O CH 3 N N N IC50 = 4.2 nM 446.51 CCOc1cnc(N2C[C@@]3(CCC[C@](C)(Cn4cnc5ccc(C#N)cc54)C3)OC2=O)cn1 Homo sapiens CHEMBL4307491 cell-based format
CHEMBL4069627 OBDepict H 3 C N S CH 3 N S NH N N O N N N O NH 2 IC50 = 4.2 nM 547.67 Cc1nc(C)c(-c2csc(Nc3ccc(C(=O)N4C5CCC4CN(c4ncc(C(N)=O)cn4)C5)cn3)n2)s1 Homo sapiens CHEMBL4050581 cell-based format
CHEMBL3968344 OBDepict CH 3 N S H 3 C N S N H N N O H H N O HO CH 3 CH 3 IC50 = 4.4 nM 526.69 Cc1nc(C)c(-c2csc(Nc3ccc(C(=O)N4[C@H]5CC[C@@H]4CC(=NOCC(C)(C)O)C5)cn3)n2)s1 Homo sapiens CHEMBL3855632 single protein format
CHEMBL3914089 OBDepict CH 3 N O N H N H O N N H S N S H 3 C N H 3 C IC50 = 4.5 nM 551.74 Cc1nc(C)c(-c2csc(Nc3ccc(C(=O)N4[C@H]5CC[C@@H]4C/C(=NOC4CCN(C)CC4)C5)cn3)n2)s1 Homo sapiens CHEMBL3855632 single protein format
CHEMBL3924665 OBDepict H 3 C N S CH 3 N S NH N N O H H H O N N F F F IC50 = 4.8 nM 587.65 Cc1nc(C)c(-c2csc(Nc3ccc(C(=O)N4[C@H]5CC[C@@H]4C[C@H](Oc4ncc(C(F)(F)F)cn4)C5)cn3)n2)s1 Homo sapiens CHEMBL3855632 single protein format
CHEMBL4437115 OBDepict OH HO N H S S O O N Cl O O Cl N IC50 = 5.0 nM 492.36 N#Cc1ccc(S(=O)(=O)N2C[C@H](S(=O)(=O)c3ccc(Cl)cn3)[C@](O)(CO)C2)c(Cl)c1 Homo sapiens CHEMBL4384769 cell-based format
CHEMBL4579838 OBDepict H 3 C O N O O CH 3 N N N IC50 = 5.2 nM 444.54 CCOc1ccc(N2C[C@@]3(CCC[C@](C)(Cn4cnc5ccc(C#N)cc54)C3)OC2=O)cc1 Homo sapiens CHEMBL4307491 cell-based format
CHEMBL4560266 OBDepict N N N CH 3 O N O F IC50 = 5.2 nM 418.47 C[C@]1(Cn2cnc3ccc(C#N)cc32)CCC[C@@]2(CN(c3ccccc3F)C(=O)O2)C1 Homo sapiens CHEMBL4307491 cell-based format
CHEMBL3986034 OBDepict HO O N H N H O N N H S N S H 3 C N H 3 C IC50 = 6.0 nM 498.63 Cc1nc(C)c(-c2csc(Nc3ccc(C(=O)N4[C@H]5CC[C@@H]4C/C(=NOCCO)C5)cn3)n2)s1 Homo sapiens CHEMBL3855632 single protein format
CHEMBL3896628 OBDepict HO O H H N H O N N H S N S H 3 C N H 3 C IC50 = 6.2 nM 485.64 Cc1nc(C)c(-c2csc(Nc3ccc(C(=O)N4[C@H]5CC[C@@H]4C[C@H](OCCO)C5)cn3)n2)s1 Homo sapiens CHEMBL3855632 single protein format
CHEMBL4077790 OBDepict H 3 C N N CH 3 N N S NH N N O N N N F F F IC50 = 6.2 nM 556.58 Cc1nn(C)cc1-c1nsc(Nc2ccc(C(=O)N3C4CCC3CN(c3ncc(C(F)(F)F)cn3)C4)cn2)n1 Homo sapiens CHEMBL4050581 cell-based format
CHEMBL3954949 OBDepict CH 3 N CH 3 O N N H S N S H 3 C N CH 3 IC50 = 6.3 nM 427.6 Cc1nc(C)c(-c2csc(Nc3ccc(C(=O)N4C(C)CCCC4C)cn3)n2)s1 Homo sapiens CHEMBL3859459 cell-based format
CHEMBL4103303 OBDepict H 3 C N S CH 3 N S NH N N O N N N F F F IC50 = 6.3 nM 572.64 Cc1nc(C)c(-c2csc(Nc3ccc(C(=O)N4C5CCC4CN(c4cnc(C(F)(F)F)nc4)C5)cn3)n2)s1 Homo sapiens CHEMBL4050581 cell-based format
CHEMBL3915675 OBDepict F HN O O H H N H O N N H S N S H 3 C N H 3 C IC50 = 6.7 nM 530.65 Cc1nc(C)c(-c2csc(Nc3ccc(C(=O)N4[C@H]5CC[C@@H]4C[C@H](OC(=O)NCCF)C5)cn3)n2)s1 Homo sapiens CHEMBL3855632 single protein format
CHEMBL4090643 OBDepict H 3 C N S CH 3 N S NH N N O N N N F F F IC50 = 6.8 nM 546.6 Cc1nc(C)c(-c2csc(Nc3ccc(C(=O)N4CCN(c5ncc(C(F)(F)F)cn5)CC4)cn3)n2)s1 Homo sapiens CHEMBL4050581 cell-based format
CHEMBL4476783 OBDepict N N N CH 3 O N O N O CH 3 H 3 C CH 3 IC50 = 7.5 nM 447.54 CC(C)(C)c1cc(N2C[C@@]3(CCC[C@](C)(Cn4cnc5ccc(C#N)cc54)C3)OC2=O)no1 Homo sapiens CHEMBL4384768 single protein format
CHEMBL4533534 OBDepict OH OH N H S S O O N O O Cl Cl IC50 = 8.0 nM 491.37 N#Cc1ccc(S(=O)(=O)[C@H]2CN(S(=O)(=O)c3ccc(Cl)cc3Cl)C[C@@]2(O)CO)cc1 Homo sapiens CHEMBL4322927 cell-based format
CHEMBL3976867 OBDepict HO N H N H O N HN S N S H 3 C N CH 3 IC50 = 8.4 nM 454.58 Cc1nc(C)c(-c2csc(Nc3ccc(C(=O)N4[C@H]5CC[C@@H]4C/C(=NO)C5)cn3)n2)s1 Homo sapiens CHEMBL3855632 single protein format
CHEMBL3979286 OBDepict Cl N H O N N H S N S H 3 C N CH 3 IC50 = 9.5 nM 441.97 Cc1nc(C)c(-c2csc(Nc3ccc(C(=O)Nc4ccc(Cl)cc4)cn3)n2)s1 Homo sapiens CHEMBL3859459 cell-based format
CHEMBL1327134 OBDepict CH 3 N S CH 3 N S N H N IC50 = 10.0 nM 288.4 Cc1nc(C)c(-c2csc(Nc3ccccn3)n2)s1 Homo sapiens CHEMBL3859459 cell-based format
CHEMBL4538643 OBDepict CH 3 N N S N NH O N H 3 C N ClH ClH IC50 = 11.0 nM 509.51 Cc1c(C(=O)Nc2nc(C3CCC3)c(N3CCN(C)CC3)s2)cnn1-c1ccccc1.Cl.Cl Homo sapiens CHEMBL4387487 cell-based format
CHEMBL4574043 OBDepict CH 3 N N S N NH O N H 3 C N ClH ClH IC50 = 11.0 nM 515.56 Cc1c(C(=O)Nc2nc(C3CCC3)c(N3CCN(C)CC3)s2)cnn1C1CCCCC1.Cl.Cl Homo sapiens CHEMBL4387487 cell-based format
CHEMBL3932523 OBDepict CH 3 O O N N H S N S CH 3 N H 3 C IC50 = 11.0 nM 360.46 CCOC(=O)c1ccc(Nc2nc(-c3sc(C)nc3C)cs2)nc1 Homo sapiens CHEMBL3859459 cell-based format
CHEMBL4550510 OBDepict NH 2 HO N H O S O O N Cl F N IC50 = 12.0 nM 426.86 N#Cc1ccc(O[C@H]2CN(S(=O)(=O)c3ccc(Cl)cn3)C[C@@]2(O)CN)cc1F Homo sapiens CHEMBL4322927 cell-based format
CHEMBL2323945 OBDepict H 3 C NH CH 3 N N N O Cl N Cl H 3 C H 3 C O CH 3 CH 3 IC50 = 12.6 nM 532.52 CC(C)Nc1nc2c(C(=O)N(C)C)c(Cl)c(Cl)cc2n1C1CCN(c2ccc(OC(C)C)cc2)CC1 Homo sapiens CHEMBL2327222 cell-based format
CHEMBL3218112 OBDepict N F O OH N S O O Cl Cl IC50 = 12.9 nM 459.33 N#Cc1ccc(OCC2(O)CCN(S(=O)(=O)c3ccc(Cl)cc3Cl)CC2)cc1F Homo sapiens CHEMBL3227453 cell-based format
CHEMBL4447221 OBDepict CH 3 O N N N O O H 3 C N N N IC50 = 14.0 nM 432.48 COc1cnc(N2C[C@@]3(CCC[C@](C)(Cn4cnc5ccc(C#N)cc54)C3)OC2=O)cn1 Homo sapiens CHEMBL4307491 cell-based format
CHEMBL4531567 OBDepict CH 3 N N S N NH O N H 3 C N F F ClH ClH IC50 = 15.0 nM 551.54 Cc1c(C(=O)Nc2nc(C3CCC3)c(N3CCN(C)CC3)s2)cnn1C1CCC(F)(F)CC1.Cl.Cl Homo sapiens CHEMBL4387487 cell-based format
CHEMBL2323944 OBDepict CH 3 O O CH 3 H 3 C N N NH N CH 3 H 3 C Cl Cl N O H 3 C H 3 C IC50 = 15.8 nM 574.55 COC(=O)C(C)(C)c1ccc(N2CCC(n3c(NC(C)C)nc4c(C(=O)N(C)C)c(Cl)c(Cl)cc43)CC2)cc1 Homo sapiens CHEMBL2327222 cell-based format
CHEMBL4549613 OBDepict N N N H O N O H 3 C H 3 C H 3 C IC50 = 16.0 nM 380.49 CC(C)(C)CN1C[C@@]2(CCC[C@H](Cn3cnc4ccc(C#N)cc43)C2)OC1=O Homo sapiens CHEMBL4307491 cell-based format
CHEMBL3906180 OBDepict O HN H F F F H N H O N HN S N S CH 3 N CH 3 IC50 = 19.0 nM 550.63 Cc1nc(C)c(-c2csc(Nc3ccc(C(=O)N4[C@H]5CC[C@@H]4C[C@H](NC(=O)CC(F)(F)F)C5)cn3)n2)s1 Homo sapiens CHEMBL3855632 single protein format
CHEMBL3906074 OBDepict O N O O N NH S N S H 3 C N H 3 C IC50 = 19.0 nM 455.57 Cc1nc(C)c(-c2csc(Nc3ccc(C(=O)N4C5COCC4CC(=O)C5)cn3)n2)s1 Homo sapiens CHEMBL3855632 single protein format
CHEMBL4467225 OBDepict OH HO N H S S O NH O O Cl N Cl IC50 = 20.0 nM 490.39 N#Cc1ccc(S(=O)(=O)N2C[C@H](S(=N)(=O)c3ccc(Cl)cc3)[C@](O)(CO)C2)c(Cl)c1 Homo sapiens CHEMBL4384769 cell-based format