HOME LIGAND hPROTEOME OTHERS DOCUMENT

P42858 | HD_HUMAN | Huntingtin (HTT)

3D structures mapped by conservation among orthologs

[ Domain: "Periplasmic binding protein-like II" // SBP_bac_1_C ]

download pymol session



[ Alpha Fold Model ] (go)


Known binders annotated in ChEMBL

IC50 table

molecule_chembl_id structure assay_type relation values units mol_wt smiles organism assay_chembl_id bao_label
CHEMBL4875017 OBDepict OH HN N N N N HO F N N CH 3 IC50 = 1.6 nM 435.46 Cn1cc2cc(-c3ccc(-c4cnc(N5CCNC(CO)C5)nn4)c(O)c3)cc(F)c2n1 Homo sapiens CHEMBL4842296 single protein format
CHEMBL4878942 OBDepict CH 3 N N N N HO N N N N HN H IC50 = 1.7 nM 429.49 Cn1nc2cc(-c3ccc(-c4cnc(N5CCN[C@@H](C6CC6)C5)nn4)c(O)c3)cnc2n1 Homo sapiens CHEMBL4842296 single protein format
CHEMBL4863336 OBDepict H N N F OH N N N N HN H IC50 = 2.1 nM 381.42 Oc1cc(-c2c[nH]nc2F)ccc1-c1cnc(N2CCN[C@@H](C3CC3)C2)nn1 Homo sapiens CHEMBL4842296 single protein format
CHEMBL4847156 OBDepict CH 3 NH N N N N OH F N N H 3 C IC50 = 2.1 nM 419.46 CC1CN(c2ncc(-c3ccc(-c4cc(F)c5nn(C)cc5c4)cc3O)nn2)CCN1 Homo sapiens CHEMBL4842296 single protein format
CHEMBL4867927 OBDepict CH 3 NH N N N N OH N F N H 3 C IC50 = 2.2 nM 433.49 CCC1CN(c2ncc(-c3ccc(-c4cc(F)c5nc(C)cn5c4)cc3O)nn2)CCN1 Homo sapiens CHEMBL4842296 single protein format
CHEMBL4859053 OBDepict H 3 C CH 3 H HN N N N N HO N N N CH 3 IC50 = 2.3 nM 430.52 Cc1cn2cc(-c3ccc(-c4cnc(N5CCN[C@@H](C(C)C)C5)nn4)c(O)c3)ncc2n1 Homo sapiens CHEMBL4842296 single protein format
CHEMBL4744003 OBDepict OH N N N N F N H N CH 3 H 3 C CH 3 NH CH 3 CH 3 IC50 <= 100.0 nM 425.51 CN(c1cnc(-c2ccc(-c3cn[nH]c3F)cc2O)nn1)C1CC(C)(C)NC(C)(C)C1 Homo sapiens CHEMBL4724630 single protein format
CHEMBL4862205 OBDepict OH N N O N N N N CH 3 H 3 C NH CH 3 CH 3 IC50 <= 100.0 nM 419.49 CC1(C)CC(n2nnc3cc(-c4ccc(-c5ncco5)cc4O)nnc32)CC(C)(C)N1 Homo sapiens CHEMBL4828013 single protein format
CHEMBL4875823 OBDepict H N N OH N N S H 3 C H 3 C HN H 3 C CH 3 IC50 <= 100.0 nM 431.57 CC1(C)C=C(c2csc3cc(-c4ccc(-c5cn[nH]c5)cc4O)nnc23)CC(C)(C)N1 Homo sapiens CHEMBL4828013 single protein format
CHEMBL4877699 OBDepict OH N N S N N N N CH 3 H 3 C NH CH 3 CH 3 IC50 <= 100.0 nM 435.56 CC1(C)CC(n2nnc3cc(-c4ccc(-c5nccs5)cc4O)nnc32)CC(C)(C)N1 Homo sapiens CHEMBL4828013 single protein format
CHEMBL4798090 OBDepict H N N OH N N N N H F CH 3 CH 3 NH H 3 C CH 3 IC50 <= 100.0 nM 411.49 CC1(C)CC(Nc2cnc(-c3ccc(-c4cn[nH]c4)cc3O)nn2)C(F)C(C)(C)N1 Homo sapiens CHEMBL4724630 single protein format
CHEMBL4877649 OBDepict OH N N S N N N N N CH 3 H 3 C NH CH 3 CH 3 IC50 <= 100.0 nM 436.55 CC1(C)CC(n2nnc3cc(-c4ccc(-c5nncs5)cc4O)nnc32)CC(C)(C)N1 Homo sapiens CHEMBL4828013 single protein format
CHEMBL4776322 OBDepict OH N N O N N N CH 3 CH 3 CH 3 NH H 3 C CH 3 IC50 <= 100.0 nM 408.51 CN(c1ncc(-c2ccc(-c3ncco3)cc2O)nn1)C1CC(C)(C)NC(C)(C)C1 Homo sapiens CHEMBL4724630 single protein format
CHEMBL4799079 OBDepict H N N F OH N N S N N CH 3 N H IC50 <= 100.0 nM 411.47 CN(c1nc2nnc(-c3ccc(-c4c[nH]nc4F)cc3O)cc2s1)C1CCNC1 Homo sapiens CHEMBL4714712 single protein format
CHEMBL4850295 OBDepict OH N N N N N N N N CH 3 H 3 C NH CH 3 CH 3 IC50 <= 100.0 nM 419.49 CC1(C)CC(n2nnc3cc(-c4ccc(-n5nccn5)cc4O)nnc32)CC(C)(C)N1 Homo sapiens CHEMBL4828013 single protein format
CHEMBL4759534 OBDepict H N N OH N N S N N H 3 C N IC50 <= 100.0 nM 447.57 CN(c1nc2nnc(-c3ccc(-c4cn[nH]c4)cc3O)cc2s1)C1CCN(C2CC2)CC1 Homo sapiens CHEMBL4714712 single protein format
CHEMBL4875396 OBDepict CH 3 O N N N HO N N N N N H 3 C H 3 C HN CH 3 H 3 C IC50 <= 100.0 nM 461.53 COc1ncnc(-c2ccc(-c3cc4nnn(C5CC(C)(C)NC(C)(C)C5)c4nn3)c(O)c2)n1 Homo sapiens CHEMBL4828013 single protein format
CHEMBL4794728 OBDepict H 3 C N O N S F N N CH 3 N CH 3 IC50 <= 100.0 nM 411.51 Cc1cn2nc(-c3cc(F)c4nc(OC5CCN(C)CC5)sc4c3)cc(C)c2n1 Homo sapiens CHEMBL4714712 single protein format
CHEMBL4757451 OBDepict CH 3 N O F S N HN IC50 <= 100.0 nM 367.45 Cc1nc2ccc(-c3cc(F)c4nc(C5CCNCC5)sc4c3)cc2o1 Homo sapiens CHEMBL4714712 single protein format
CHEMBL4754827 OBDepict CH 3 N N N S H 3 C N N NH ClH IC50 <= 100.0 nM 388.93 Cc1cn2nc(-c3cn4cc(C5CCNCC5)nc4s3)cc(C)c2n1.Cl Homo sapiens CHEMBL4672957 single protein format
CHEMBL4777225 OBDepict N N N N S CH 3 N N HN ClH IC50 <= 100.0 nM 399.91 Cl.Cn1cc2cc(-c3nn4cc(C5CCNCC5)nc4s3)cc(C#N)c2n1 Homo sapiens CHEMBL4672957 single protein format
CHEMBL4778330 OBDepict H N N N N H S N N S N CH 3 HN ClH IC50 <= 100.0 nM 473.03 CN(c1nc2sc(-c3cnc(-c4cn[nH]c4)c4[nH]ccc34)nc2s1)C1CCNCC1.Cl Homo sapiens CHEMBL4672957 single protein format
CHEMBL4761220 OBDepict H N N N N N S N N S N CH 3 CH 3 CH 3 N H H 3 C H 3 C ClH IC50 <= 100.0 nM 492.08 CN(c1nc2sc(-c3ncc(-c4cn[nH]c4)nn3)nc2s1)C1CC(C)(C)NC(C)(C)C1.Cl Homo sapiens CHEMBL4672957 single protein format
CHEMBL4796814 OBDepict H 3 C N N N N N N H S N N S O H NH H H 3 C ClH IC50 <= 100.0 nM 490.02 C[C@H]1C[C@H](Oc2nc3sc(-c4ncc(-c5nnn(C)n5)c5cc[nH]c45)nc3s2)CCN1.Cl Homo sapiens CHEMBL4672957 single protein format
CHEMBL4797633 OBDepict H N N N OH S N N S N CH 3 H 3 C H 3 C N H CH 3 CH 3 ClH IC50 <= 100.0 nM 506.1 CN(c1nc2sc(-c3ncc(-c4cn[nH]c4)cc3O)nc2s1)C1CC(C)(C)NC(C)(C)C1.Cl Homo sapiens CHEMBL4672957 single protein format
CHEMBL4785183 OBDepict H 3 C N N N S N N HO N F N H IC50 <= 100.0 nM 423.48 CN1CC2(C1)CN(c1nc3nnc(-c4ccc(-c5c[nH]nc5F)cc4O)cc3s1)C2 Homo sapiens CHEMBL4714712 single protein format
CHEMBL4761459 OBDepict H N N OH N N S N N NH IC50 <= 100.0 nM 419.51 Oc1cc(-c2cn[nH]c2)ccc1-c1cc2sc(N3CCC34CCNCC4)nc2nn1 Homo sapiens CHEMBL4714712 single protein format
CHEMBL4799758 OBDepict N N N H OH N N N N N H CH 3 H 3 C CH 3 IC50 <= 100.0 nM 404.48 CC(C)(C)NC1CCN(c2ncc(-c3ccc(-c4c[nH]nc4C#N)cc3O)nn2)C1 Homo sapiens CHEMBL4724630 single protein format
CHEMBL4749870 OBDepict OH N N N N N N N CH 3 CH 3 CH 3 NH H 3 C CH 3 IC50 <= 100.0 nM 408.51 CN(c1cnc(-c2ccc(-n3nccn3)cc2O)nn1)C1CC(C)(C)NC(C)(C)C1 Homo sapiens CHEMBL4724630 single protein format
CHEMBL4743319 OBDepict CH 3 N N OH N N N N H H 3 C CH 3 HN H 3 C H 3 C IC50 <= 100.0 nM 407.52 Cn1cc(-c2ccc(-c3cnc(NC4CC(C)(C)NC(C)(C)C4)nn3)c(O)c2)cn1 Homo sapiens CHEMBL4724630 single protein format
CHEMBL493153 OBDepict OH NH N N Cl IC50 = 710.0 nM 299.76 Oc1ccc(CCNc2ncnc3ccc(Cl)cc23)cc1 Homo sapiens CHEMBL1029934 cell-based format