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Q969F8 | KISSR_HUMAN | KiSS-1 receptor (KISS1R)

3D structures mapped by conservation among orthologs



[ 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
CHEMBL3645499 OBDepict H 3 C NH H O H 3 C CH 3 H 3 C IC50 = 0.12 nM 183.29 CNC/C=C/[C@@H](CC(C)C)C(C)=O Homo sapiens CHEMBL3705152 single protein format
CHEMBL3645498 OBDepict CH 3 NH N H O H O H 3 C CH 3 H 3 C IC50 = 0.71 nM 200.28 CNCC(=O)N[C@@H](CC(C)C)C(C)=O Homo sapiens CHEMBL3705152 single protein format
CHEMBL3645500 OBDepict H 3 C NH H O H 3 C CH 3 H 3 C IC50 = 1.2 nM 185.31 CNCCC[C@@H](CC(C)C)C(C)=O Homo sapiens CHEMBL3705152 single protein format
CHEMBL1173643 OBDepict N N HN O O N HO F NH IC50 = 3.6 nM 483.5 N#Cc1c(-c2cccc(N3CCNCC3)c2)cc(-c2ccc(F)cc2O)nc1NC(=O)c1ccco1 Homo sapiens CHEMBL1176639 cell-based format
CHEMBL1163809 OBDepict NH 2 NH O N N N H OH O O F IC50 = 3.7 nM 485.48 N#Cc1c(-c2cccc(NC(=O)CCN)c2)cc(-c2ccc(F)cc2O)nc1NC(=O)c1ccco1 Homo sapiens CHEMBL1167874 cell-based format
CHEMBL1171484 OBDepict H 2 N N H O N N HN HO O O F IC50 = 4.1 nM 471.45 N#Cc1c(-c2cccc(NC(=O)CN)c2)cc(-c2ccc(F)cc2O)nc1NC(=O)c1ccco1 Homo sapiens CHEMBL1176639 cell-based format
CHEMBL1169901 OBDepict H 3 C NH N H O N N NH OH O O F IC50 = 4.6 nM 499.5 CNCCC(=O)Nc1cccc(-c2cc(-c3ccc(F)cc3O)nc(NC(=O)c3ccco3)c2C#N)c1 Homo sapiens CHEMBL1176639 cell-based format
CHEMBL3645501 OBDepict CH 3 NH O H 3 C H 3 C CH 3 IC50 = 4.6 nM 183.29 CNCC/C=C(/CC(C)C)C(C)=O Homo sapiens CHEMBL3705152 single protein format
CHEMBL1173644 OBDepict N N H N O O N OH F N H IC50 = 7.3 nM 497.53 N#Cc1c(-c2cccc(N3CCCNCC3)c2)cc(-c2ccc(F)cc2O)nc1NC(=O)c1ccco1 Homo sapiens CHEMBL1176639 cell-based format
CHEMBL1165222 OBDepict NH 2 NH O N N N H OH O S F IC50 = 7.4 nM 501.54 N#Cc1c(-c2cccc(NC(=O)CCN)c2)cc(-c2ccc(F)cc2O)nc1NC(=O)c1cccs1 Homo sapiens CHEMBL1167874 cell-based format
CHEMBL1170903 OBDepict N N N H O O N H HO O F H NH IC50 = 7.9 nM 525.54 N#Cc1c(-c2cccc(NC(=O)C[C@@H]3CCCN3)c2)cc(-c2ccc(F)cc2O)nc1NC(=O)c1ccco1 Homo sapiens CHEMBL1176639 cell-based format
CHEMBL1170896 OBDepict CH 3 N H H 3 C N H O N N HN HO O O F IC50 = 8.0 nM 541.58 CCNC(CC)CC(=O)Nc1cccc(-c2cc(-c3ccc(F)cc3O)nc(NC(=O)c3ccco3)c2C#N)c1 Homo sapiens CHEMBL1176639 cell-based format
CHEMBL1163736 OBDepict NH 2 HN O N N N H OH O O F IC50 = 8.0 nM 485.48 N#Cc1c(-c2cccc(C(=O)NCCN)c2)cc(-c2ccc(F)cc2O)nc1NC(=O)c1ccco1 Homo sapiens CHEMBL1167874 cell-based format
CHEMBL1170911 OBDepict CH 3 HN N H O N N NH OH O O F IC50 = 8.4 nM 485.48 CNCC(=O)Nc1cccc(-c2cc(-c3ccc(F)cc3O)nc(NC(=O)c3ccco3)c2C#N)c1 Homo sapiens CHEMBL1176639 cell-based format
CHEMBL1170692 OBDepict N N NH O O N H OH O F HN CH 3 CH 3 CH 3 IC50 = 9.7 nM 541.58 CC(C)NC(C)CC(=O)Nc1cccc(-c2cc(-c3ccc(F)cc3O)nc(NC(=O)c3ccco3)c2C#N)c1 Homo sapiens CHEMBL1176639 cell-based format
CHEMBL1163896 OBDepict NH 2 NH O N N N H OH O S Cl IC50 = 9.8 nM 518.0 N#Cc1c(-c2cccc(NC(=O)CCN)c2)cc(-c2ccc(Cl)cc2O)nc1NC(=O)c1cccs1 Homo sapiens CHEMBL1167874 cell-based format
CHEMBL1170685 OBDepict CH 3 HN CH 3 N H O N N NH OH O O F IC50 = 10.0 nM 527.56 CCNC(C)CC(=O)Nc1cccc(-c2cc(-c3ccc(F)cc3O)nc(NC(=O)c3ccco3)c2C#N)c1 Homo sapiens CHEMBL1176639 cell-based format
CHEMBL1170468 OBDepict CH 3 N CH 3 N H O N N NH OH O O F IC50 = 10.0 nM 527.56 CCN(C)CCC(=O)Nc1cccc(-c2cc(-c3ccc(F)cc3O)nc(NC(=O)c3ccco3)c2C#N)c1 Homo sapiens CHEMBL1176639 cell-based format
CHEMBL1169902 OBDepict N N N H O O NH OH O F N H 3 C CH 3 IC50 = 10.0 nM 513.53 CN(C)CCC(=O)Nc1cccc(-c2cc(-c3ccc(F)cc3O)nc(NC(=O)c3ccco3)c2C#N)c1 Homo sapiens CHEMBL1176639 cell-based format
CHEMBL1170904 OBDepict N N N H O O N H HO O F H NH IC50 = 10.0 nM 525.54 N#Cc1c(-c2cccc(NC(=O)C[C@H]3CCCN3)c2)cc(-c2ccc(F)cc2O)nc1NC(=O)c1ccco1 Homo sapiens CHEMBL1176639 cell-based format
CHEMBL1173008 OBDepict CH 3 N N N N NH OH O O F IC50 = 11.0 nM 511.56 CCN1CCN(c2cccc(-c3cc(-c4ccc(F)cc4O)nc(NC(=O)c4ccco4)c3C#N)c2)CC1 Homo sapiens CHEMBL1176639 cell-based format
CHEMBL1165432 OBDepict H 2 N H 3 C H 3 C NH O N N NH OH O O F IC50 = 11.0 nM 527.56 CC(C)(CN)CNC(=O)c1cccc(-c2cc(-c3ccc(F)cc3O)nc(NC(=O)c3ccco3)c2C#N)c1 Homo sapiens CHEMBL1167874 cell-based format
CHEMBL1163888 OBDepict NH 2 NH O N N NH OH O S H 3 C IC50 = 12.0 nM 497.58 Cc1ccc(-c2cc(-c3cccc(NC(=O)CCN)c3)c(C#N)c(NC(=O)c3cccs3)n2)c(O)c1 Homo sapiens CHEMBL1167874 cell-based format
CHEMBL1171977 OBDepict N NH N O O N H OH O F N CH 3 CH 3 IC50 = 12.0 nM 499.5 CN(C)CC(=O)Nc1cccc(-c2cc(-c3ccc(F)cc3O)nc(NC(=O)c3ccco3)c2C#N)c1 Homo sapiens CHEMBL1176639 cell-based format
CHEMBL1171294 OBDepict N N N H O O NH OH O F HN IC50 = 14.0 nM 539.57 N#Cc1c(-c2cccc(NC(=O)CC3CCCCN3)c2)cc(-c2ccc(F)cc2O)nc1NC(=O)c1ccco1 Homo sapiens CHEMBL1176639 cell-based format
CHEMBL1165223 OBDepict NH 2 NH O N N N H HO O O IC50 = 14.0 nM 467.49 N#Cc1c(-c2cccc(C(=O)NCCN)c2)cc(-c2ccccc2O)nc1NC(=O)c1ccco1 Homo sapiens CHEMBL1167874 cell-based format
CHEMBL1171296 OBDepict N N N H O O NH OH O F N IC50 = 15.0 nM 539.57 N#Cc1c(-c2cccc(NC(=O)CN3CCCCC3)c2)cc(-c2ccc(F)cc2O)nc1NC(=O)c1ccco1 Homo sapiens CHEMBL1176639 cell-based format
CHEMBL1172940 OBDepict N NH N O O N OH F N CH 3 IC50 = 15.0 nM 497.53 CN1CCN(c2cccc(-c3cc(-c4ccc(F)cc4O)nc(NC(=O)c4ccco4)c3C#N)c2)CC1 Homo sapiens CHEMBL1176639 cell-based format
CHEMBL1163735 OBDepict N NH N O O OH NH O CH 3 CH 3 NH 2 IC50 = 15.0 nM 495.54 CC(C)(CN)NC(=O)c1cccc(-c2cc(-c3ccccc3O)nc(NC(=O)c3ccco3)c2C#N)c1 Homo sapiens CHEMBL1167874 cell-based format
CHEMBL1170684 OBDepict CH 3 N CH 3 N H O N N NH OH O O F IC50 = 16.0 nM 541.58 CCN(CC)CCC(=O)Nc1cccc(-c2cc(-c3ccc(F)cc3O)nc(NC(=O)c3ccco3)c2C#N)c1 Homo sapiens CHEMBL1176639 cell-based format
CHEMBL1171102 OBDepict N N H N O O N H OH O F H HN IC50 = 16.0 nM 511.51 N#Cc1c(-c2cccc(NC(=O)[C@H]3CCCN3)c2)cc(-c2ccc(F)cc2O)nc1NC(=O)c1ccco1 Homo sapiens CHEMBL1176639 cell-based format
CHEMBL1170895 OBDepict CH 3 N CH 3 CH 3 N H O N N NH OH O O F IC50 = 17.0 nM 555.61 CCN(CC)C(C)CC(=O)Nc1cccc(-c2cc(-c3ccc(F)cc3O)nc(NC(=O)c3ccco3)c2C#N)c1 Homo sapiens CHEMBL1176639 cell-based format
CHEMBL1171097 OBDepict N N N H O O HN HO O F H N H 3 C IC50 = 18.0 nM 539.57 CN1CCC[C@H]1CC(=O)Nc1cccc(-c2cc(-c3ccc(F)cc3O)nc(NC(=O)c3ccco3)c2C#N)c1 Homo sapiens CHEMBL1176639 cell-based format
CHEMBL1173438 OBDepict N N HN O O OH N F N CH 3 IC50 = 18.0 nM 511.56 CN1CCN(Cc2cccc(-c3cc(-c4ccc(F)cc4O)nc(NC(=O)c4ccco4)c3C#N)c2)CC1 Homo sapiens CHEMBL1176639 cell-based format
CHEMBL1170894 OBDepict N N NH O O N H OH O F N CH 3 H 3 C CH 3 IC50 = 18.0 nM 527.56 CC(CC(=O)Nc1cccc(-c2cc(-c3ccc(F)cc3O)nc(NC(=O)c3ccco3)c2C#N)c1)N(C)C Homo sapiens CHEMBL1176639 cell-based format
CHEMBL1163897 OBDepict NH 2 NH O N N N H OH O S Br IC50 = 19.0 nM 562.45 N#Cc1c(-c2cccc(NC(=O)CCN)c2)cc(-c2ccc(Br)cc2O)nc1NC(=O)c1cccs1 Homo sapiens CHEMBL1167874 cell-based format
CHEMBL1173512 OBDepict CH 3 N N N N NH OH O O F IC50 = 20.0 nM 525.58 CCN1CCN(Cc2cccc(-c3cc(-c4ccc(F)cc4O)nc(NC(=O)c4ccco4)c3C#N)c2)CC1 Homo sapiens CHEMBL1176639 cell-based format
CHEMBL1171483 OBDepict N N NH O O OH NH O F N H 3 C CH 3 ClH IC50 = 20.0 nM 549.99 CN(C)CCNC(=O)c1cccc(-c2cc(-c3ccc(F)cc3O)nc(NC(=O)c3ccco3)c2C#N)c1.Cl Homo sapiens CHEMBL1176639 cell-based format
CHEMBL1164674 OBDepict NH 2 NH O N N N H OH O S IC50 = 21.0 nM 483.55 N#Cc1c(-c2cccc(NC(=O)CCN)c2)cc(-c2ccccc2O)nc1NC(=O)c1cccs1 Homo sapiens CHEMBL1167874 cell-based format
CHEMBL1171797 OBDepict H 3 C N CH 3 CH 3 N H O N N HN HO O O F IC50 = 22.0 nM 569.64 CCC(CC(=O)Nc1cccc(-c2cc(-c3ccc(F)cc3O)nc(NC(=O)c3ccco3)c2C#N)c1)N(CC)CC Homo sapiens CHEMBL1176639 cell-based format
CHEMBL3216935 OBDepict N N H N O O HO N F N H ClH ClH IC50 = 25.0 nM 584.48 Cl.Cl.N#Cc1c(-c2cccc(CN3CCCNCC3)c2)cc(-c2ccc(F)cc2O)nc1NC(=O)c1ccco1 Homo sapiens CHEMBL1176639 cell-based format
CHEMBL1171104 OBDepict H 3 C HN N H O CH 3 N N NH OH O O F IC50 = 30.0 nM 527.56 CCNC(CC)C(=O)Nc1cccc(-c2cc(-c3ccc(F)cc3O)nc(NC(=O)c3ccco3)c2C#N)c1 Homo sapiens CHEMBL1176639 cell-based format
CHEMBL1171663 OBDepict N NH N O O N OH CH 3 F N CH 3 CH 3 IC50 = 30.0 nM 499.55 CN(C)CCN(C)c1cccc(-c2cc(-c3ccc(F)cc3O)nc(NC(=O)c3ccco3)c2C#N)c1 Homo sapiens CHEMBL1176639 cell-based format
CHEMBL1165100 OBDepict NH 2 NH O N N N H HO O S IC50 = 30.0 nM 483.55 N#Cc1c(-c2cccc(C(=O)NCCN)c2)cc(-c2ccccc2O)nc1NC(=O)c1cccs1 Homo sapiens CHEMBL1167874 cell-based format
CHEMBL1163734 OBDepict H 2 N HN O N N HN HO O O CH 3 IC50 = 31.0 nM 507.55 COc1ccc(C(=O)Nc2nc(-c3ccccc3O)cc(-c3cccc(C(=O)NCCN)c3)c2C#N)cc1 Homo sapiens CHEMBL1167874 cell-based format
CHEMBL3645502 OBDepict CH 3 NH OH H O H 3 C H 3 C CH 3 IC50 = 32.0 nM 199.29 CNC[C@H](O)/C=C(CC(C)C)C(C)=O Homo sapiens CHEMBL3705152 single protein format
CHEMBL3645504 OBDepict CH 3 NH OH H O H 3 C H 3 C CH 3 IC50 = 32.0 nM 201.31 CNC[C@@H](O)CC(CC(C)C)C(C)=O Homo sapiens CHEMBL3705152 single protein format
CHEMBL1165467 OBDepict CH 3 O N H O N N HO NH O CH 3 CH 3 H 2 N IC50 = 32.0 nM 535.6 COc1ccc(C(=O)Nc2nc(-c3ccccc3O)cc(-c3cccc(C(=O)NC(C)(C)CN)c3)c2C#N)cc1 Homo sapiens CHEMBL1167874 cell-based format
CHEMBL1163808 OBDepict N N N H O OH O N H O H 3 C H 3 C CH 3 NH 2 IC50 = 32.0 nM 535.6 COc1ccccc1C(=O)Nc1nc(-c2ccccc2O)cc(-c2cccc(C(=O)NC(C)(C)CN)c2)c1C#N Homo sapiens CHEMBL1167874 cell-based format
CHEMBL1164939 OBDepict H 2 N NH O N N N H OH O S IC50 = 34.0 nM 497.58 N#Cc1c(-c2cccc(NC(=O)CCCN)c2)cc(-c2ccccc2O)nc1NC(=O)c1cccs1 Homo sapiens CHEMBL1167874 cell-based format
CHEMBL1165224 OBDepict NH 2 N H O N N N H HO O O CH 3 IC50 = 45.0 nM 507.55 COc1ccccc1C(=O)Nc1nc(-c2ccccc2O)cc(-c2cccc(C(=O)NCCN)c2)c1C#N Homo sapiens CHEMBL1167874 cell-based format
CHEMBL1164153 OBDepict H 2 N NH O N N NH OH O IC50 = 51.0 nM 477.52 N#Cc1c(-c2cccc(NC(=O)CCN)c2)cc(-c2ccccc2O)nc1NC(=O)c1ccccc1 Homo sapiens CHEMBL1167874 cell-based format
CHEMBL1165783 OBDepict H 2 N NH O N N N H OH O S IC50 = 51.0 nM 469.53 N#Cc1c(-c2cccc(NC(=O)CN)c2)cc(-c2ccccc2O)nc1NC(=O)c1cccs1 Homo sapiens CHEMBL1167874 cell-based format
CHEMBL1163972 OBDepict H 2 N NH O N N N H HO O O H 3 C IC50 = 120.0 nM 507.55 COc1ccc(-c2cc(-c3cccc(NC(=O)CCN)c3)c(C#N)c(NC(=O)c3ccccc3)n2)c(O)c1 Homo sapiens CHEMBL1167874 cell-based format
CHEMBL1163732 OBDepict H 2 N NH O N N N H OH O S IC50 = 120.0 nM 483.55 N#Cc1c(-c2ccc(C(=O)NCCN)cc2)cc(-c2ccccc2O)nc1NC(=O)c1cccs1 Homo sapiens CHEMBL1167874 cell-based format
CHEMBL1169893 OBDepict N HN N O S N H HO O N H 3 C CH 3 IC50 = 180.0 nM 497.58 CN(C)CC(=O)Nc1cccc(-c2cc(-c3ccccc3O)nc(NC(=O)c3cccs3)c2C#N)c1 Homo sapiens CHEMBL1176639 cell-based format
CHEMBL3645503 OBDepict CH 3 NH OH H O H 3 C H 3 C CH 3 IC50 = 380.0 nM 201.31 CNC[C@H](O)CC(CC(C)C)C(C)=O Homo sapiens CHEMBL3705152 single protein format
CHEMBL3645506 OBDepict CH 3 NH OH H O H 3 C H 3 C CH 3 IC50 = 460.0 nM 199.29 CNC[C@@H](O)/C=C(CC(C)C)C(C)=O Homo sapiens CHEMBL3705152 single protein format
CHEMBL1165103 OBDepict NH 2 HN O N N HN HO O O S CH 3 IC50 = 480.0 nM 513.58 COc1ccc(O)c(-c2cc(-c3cccc(NC(=O)CCN)c3)c(C#N)c(NC(=O)c3cccs3)n2)c1 Homo sapiens CHEMBL1167874 cell-based format
CHEMBL1164988 OBDepict NH 2 NH O N N N H OH O Cl S IC50 = 490.0 nM 518.0 N#Cc1c(-c2cccc(NC(=O)CCN)c2)cc(-c2cc(Cl)ccc2O)nc1NC(=O)c1cccs1 Homo sapiens CHEMBL1167874 cell-based format
CHEMBL1164673 OBDepict NH 2 N N NH OH O S IC50 = 570.0 nM 426.5 N#Cc1c(-c2cccc(CN)c2)cc(-c2ccccc2O)nc1NC(=O)c1cccs1 Homo sapiens CHEMBL1167874 cell-based format
CHEMBL218690 OBDepict NH 2 N N O N H O N S Ki = 708.0 nM 517.61 NCCCn1nc(C2=C(c3cn(-c4csc5ccccc45)c4ccccc34)C(=O)NC2=O)c2ccccc21 Homo sapiens CHEMBL912002 single protein format
CHEMBL1672380 OBDepict NH 2 N H HN HN H N H O O H O H 2 N IC50 = 830.0 nM 482.63 N=C(N)NCCC[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Homo sapiens CHEMBL1681416 single protein format
CHEMBL1165431 OBDepict H 2 N NH O N N NH NH 2 O IC50 = 890.0 nM 476.54 N#Cc1c(-c2cccc(NC(=O)CCN)c2)cc(-c2ccccc2N)nc1NC(=O)c1ccccc1 Homo sapiens CHEMBL1167874 cell-based format