Gene name: CTSS
Protein name: Cathepsin S (EC
List of molecules and drugs that interact with protein P25774
| # | DrugDomain Data | PBD ligand | DrugBank Accession | PubChem | ChEMBL | Name | Drug action | Affinity data |
|---|---|---|---|---|---|---|---|---|
| 1 | P25774_2FC | 2FC | n/a | 86208094 | n/a | N-[(8R)-8-(benzoylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]-4-methylpiperazine-1-carboxamide | n/a | |
| 2 | P25774_2FZ | 2FZ | n/a | 67475270 | CHEMBL3342553 | (3R,4S)-4-[(4-fluorobenzoyl)amino]-6-[4-(oxetan-3-yl)piperazin-1-yl]-3,4-dihydro-2H-chromen-3-yl methylcarbamate | n/a | |
| 3 | P25774_599 | 599 | n/a | 44224000 | CHEMBL575242 | 2-[3-{4-chloro-3-[(4-chlorophenyl)ethynyl]phenyl}-1-(3-morpholin-4-ylpropyl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl]-2-oxoethanol | n/a | |
| 4 | P25774_935 | 935 | n/a | n/a | n/a | (E)-1-(6-{4-[3-(4-methylpiperazin-1-yl)propoxy]-3-(trifluoromethyl)phenyl}pyridin-2-yl)methanimine | n/a | |
| 5 | P25774_93N | 93N | n/a | 46238539 | CHEMBL1209147 | 6-{4-[3-(4-methylpiperazin-1-yl)propoxy]-3-(trifluoromethyl)phenyl}pyridine-2-carbonitrile | n/a | |
| 6 | P25774_ACT | ACT | DB14511 | 175 | n/a | ACETATE ION | n/a | |
| 7 | P25774_B8J | B8J | n/a | 22293651 | n/a | 1-[1-(3-{5-(1H-imidazole-5-carbonyl)-3-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-1-yl}propyl)piperidin-4-yl]-3-methyl-1,3-dihydro-2H-benzimidazol-2-one | n/a | |
| 8 | P25774_B8S | B8S | n/a | 46911715 | CHEMBL1171503 | N-{[2-chloro-5-(2-{3-[4-(6-chloro-3-methyl-2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)piperidin-1-yl]propyl}-3-oxo-2,3-dihydropyridazin-4-yl)phenyl]methyl}-4-fluorobenzamide | n/a | |
| 9 | P25774_B8V | B8V | n/a | 131953435 | n/a | (2S)-1-[4-(2-methoxyphenyl)piperidin-1-yl]-3-{3-[3-{[2-(piperidin-1-yl)ethyl]sulfanyl}-4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-1-yl}propan-2-ol | n/a | |
| 10 | P25774_B8Y | B8Y | n/a | 49797978 | CHEMBL1171505 | N-{[2-chloro-5-(4-{3-[4-(6-chloro-3-methyl-2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)piperidin-1-yl]propyl}-3-oxo-3,4-dihydropyrazin-2-yl)phenyl]methyl}-4-fluorobenzamide | n/a | |
| 11 | P25774_B9S | B9S | n/a | 131953437 | n/a | (2S)-1-(4,4-dimethylpiperidin-1-yl)-3-{3-[3-({[(4-fluorophenyl)methyl]amino}methyl)-4-(trifluoromethyl)phenyl]-5-(methylsulfonyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-1-yl}propan-2-ol | n/a | |
| 12 | P25774_B9Y | B9Y | n/a | 46884388 | CHEMBL1089616 | 1-{3-[3-{[2-(4-fluoropiperidin-1-yl)ethyl]sulfanyl}-4-(trifluoromethyl)phenyl]-1-[(2S)-2-hydroxy-3-(piperidin-1-yl)propyl]-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}-2-hydroxyethan-1-one | n/a | |
| 13 | P25774_BAJ | BAJ | n/a | 131953440 | n/a | 1-[5-{1-[3-(4-tert-butylpiperidin-1-yl)propyl]-5-(methylsulfonyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl}-2-(trifluoromethyl)phenyl]-N-[(4-fluorophenyl)methyl]methanamine | n/a | |
| 14 | P25774_BC7 | BC7 | n/a | 131953439 | n/a | 2-[5-[5-ethanoyl-1-[(2~{R})-2-oxidanyl-3-[4-(2-oxidanylpropan-2-yl)piperidin-1-yl]propyl]-6,7-dihydro-4~{H}-pyrazolo[4,3-c]pyridin-3-yl]-2-(trifluoromethyl)phenyl]sulfanyl-1-pyrrolidin-1-yl-ethanone | n/a | |
| 15 | P25774_BCJ | BCJ | n/a | 69079589 | n/a | (4~{S})-1-[1-[(2~{S})-3-[3-[3-[2-(4-methylpiperidin-1-yl)ethylsulfanyl]-4-(trifluoromethyl)phenyl]-5-methylsulfonyl-6,7-dihydro-4~{H}-pyrazolo[4,3-c]pyridin-1-yl]-2-oxidanyl-propyl]piperidin-4-yl]-4-oxidanyl-pyrrolidin-2-one | n/a | |
| 16 | P25774_BCQ | BCQ | n/a | 20846105 | n/a | N-[(1R)-1-[({[(5S)-3,5-DIMETHYL-2,5-DIHYDROISOXAZOL-4-YL]METHYL}SULFONYL)METHYL]-2-OXO-2-({(1S)-3-PHENYL-1-[2-(PHENYLSULFONYL)ETHYL]PROPYL}AMINO)ETHYL]MORPHOLINE-4-CARBOXAMIDE | n/a | |
| 17 | P25774_BFV | BFV | n/a | 69099177 | n/a | N-benzyl-1-{3-[(2-chloro-5-{5-(methylsulfonyl)-1-[3-(morpholin-4-yl)propyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl}phenyl)ethynyl]phenyl}methanamine | n/a | |
| 18 | P25774_BG7 | BG7 | n/a | 131953442 | n/a | N-{[5-{1-[3-(dimethylamino)propyl]-5-[(piperidin-4-yl)acetyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl}-2-(trifluoromethyl)phenyl]methyl}-3-methylbut-2-enamide | n/a | |
| 19 | P25774_BGJ | BGJ | n/a | 69099012 | n/a | 1-{4-[(2-chloro-5-{1-[3-(4-cyclopropylpiperazin-1-yl)propyl]-5-(methylsulfonyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl}phenyl)ethynyl]phenyl}-N-[(4-chlorophenyl)methyl]methanamine | n/a | |
| 20 | P25774_BGY | BGY | n/a | 131953444 | n/a | tert-butyl 4-(2-{3-(4-chloro-3-iodophenyl)-1-[3-(morpholin-4-yl)propyl]-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}-2-oxoethyl)piperidine-1-carboxylate | n/a | |
| 21 | P25774_BHJ | BHJ | n/a | 69099409 | n/a | {(3S)-7-[(2-chloro-5-{5-(methylsulfonyl)-1-[3-(morpholin-4-yl)propyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl}phenyl)ethynyl]-1,2,3,4-tetrahydroisoquinolin-3-yl}(piperidin-1-yl)methanone | n/a | |
| 22 | P25774_BHV | BHV | n/a | 131953443 | n/a | tert-butyl 4-(2-{3-[3-{[(3-methylbut-2-enoyl)amino]methyl}-4-(trifluoromethyl)phenyl]-1-[3-(morpholin-4-yl)propyl]-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}-2-oxoethyl)piperidine-1-carboxylate | n/a | |
| 23 | P25774_BJD | BJD | n/a | 59780493 | n/a | N-benzyl-1-{2-chloro-5-[(2-chloro-5-{5-(methylsulfonyl)-1-[3-(morpholin-4-yl)propyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl}phenyl)ethynyl]phenyl}methanamine | n/a | |
| 24 | P25774_BJJ | BJJ | n/a | 25026363 | n/a | N-benzyl-1-{2-chloro-5-[2-(2-chloro-5-{5-(methylsulfonyl)-1-[3-(morpholin-4-yl)propyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl}phenyl)ethyl]phenyl}methanamine | n/a | |
| 25 | P25774_BJS | BJS | n/a | 59780645 | n/a | 2-(3-[3-({3-[(benzylamino)methyl]-4-chlorophenyl}ethynyl)-4-chlorophenyl]-1-{3-[(3S)-3-methylmorpholin-4-yl]propyl}-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl)-2-oxoacetamide | n/a | |
| 26 | P25774_BJV | BJV | n/a | 69322707 | n/a | N-benzyl-1-{5-[(2-chloro-5-{5-(methylsulfonyl)-1-[3-(morpholin-4-yl)propyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl}phenyl)ethynyl]-2-methoxyphenyl}methanamine | n/a | |
| 27 | P25774_BJY | BJY | n/a | 137349012;166612019; | n/a | 5-hydroxy-3-{1-[(2S)-2-hydroxy-3-{5-(methylsulfonyl)-3-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-1-yl}propyl]piperidin-4-yl}-1H-pyrrolo[3,2-c]pyridin-5-ium | n/a | |
| 28 | P25774_BLN | BLN | DB03767 | 5287799 | CHEMBL153813 | MORPHOLINE-4-CARBOXYLIC ACID [1S-(2-BENZYLOXY-1R-CYANO-ETHYLCARBAMOYL)-3-METHYL-BUTYL]AMIDE | n/a | IC50(nM) = 19.0 Kd(nM) = 0.3 |
| 29 | P25774_BQJ | BQJ | n/a | 131953436 | n/a | 2-(dimethylamino)-1-[4-(2-oxo-2-{3-[3-{[2-(piperidin-1-yl)ethyl]sulfanyl}-4-(trifluoromethyl)phenyl]-1-propyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}ethyl)piperidin-1-yl]ethan-1-one | n/a | |
| 30 | P25774_BQP | BQP | n/a | 131953438 | n/a | 2-[1-(cyclohexylmethyl)piperidin-4-yl]-1-{3-[3-{[2-(4-fluoropiperidin-1-yl)ethyl]sulfanyl}-4-(trifluoromethyl)phenyl]-1-(3-hydroxypropyl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}ethan-1-one | n/a | |
| 31 | P25774_BQS | BQS | n/a | 131953441 | n/a | 2-[1-(cyclohexylmethyl)piperidin-4-yl]-1-{3-[3-{[2-(piperidin-1-yl)ethyl]sulfanyl}-4-(trifluoromethyl)phenyl]-1-propyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}ethan-1-one | n/a | |
| 32 | P25774_C1P | C1P | DB03837 | 23585984 | n/a | N~2~-(morpholin-4-ylcarbonyl)-N-[(3S)-1-phenyl-5-(phenylsulfonyl)pentan-3-yl]-L-leucinamide | n/a | |
| 33 | P25774_C28 | C28 | DB07520 | 11840930 | n/a | N-[1-(AMINOMETHYL)CYCLOPROPYL]-3-(MORPHOLIN-4-YLSULFONYL)-N~2~-[(1S)-2,2,2-TRIFLUORO-1-(4-FLUOROPHENYL)ETHYL]-L-ALANINAMIDE | n/a | |
| 34 | P25774_C4P | C4P | DB03984 | 5287870 | n/a | N-[(1R)-2-(BENZYLSULFANYL)-1-FORMYLETHYL]-N-(MORPHOLIN-4-YLCARBONYL)-L-PHENYLALANINAMIDE | n/a | |
| 35 | P25774_C71 | C71 | n/a | 11840931 | n/a | N-[4-(AMINOMETHYL)-1,1-DIOXIDOTETRAHYDRO-2H-THIOPYRAN-4-YL]-3-(1-METHYLCYCLOPENTYL)-N~2~-[(1E)-N-(PHENYLSULFONYL)ETHANIMIDOYL]-L-ALANINAMIDE | n/a | |
| 36 | P25774_CL | CL | n/a | 312 | n/a | CHLORIDE ION | n/a | |
| 37 | P25774_CRJ | CRJ | DB07587 | 11840933 | n/a | N-(1-CYANOCYCLOPROPYL)-3-({[(2S)-5-OXOPYRROLIDIN-2-YL]METHYL}SULFONYL)-N~2~-[(1S)-2,2,2-TRIFLUORO-1-(4-FLUOROPHENYL)ETH YL]-L-ALANINAMIDE | n/a | |
| 38 | P25774_CRL | CRL | n/a | 10062711 | n/a | N-{(1R)-2-[(4-CYANO-1,1-DIOXIDOTETRAHYDRO-2H-THIOPYRAN-4-YL)AMINO]-2-OXO-1-[(TRIMETHYLSILYL)METHYL]ETHYL}MORPHOLINE-4-CARBOXAMIDE | n/a | |
| 39 | P25774_CRV | CRV | DB07589 | 11840934 | n/a | N-[1-(AMINOMETHYL)CYCLOPROPYL]-3-(BENZYLSULFONYL)-N~2~-[(1S)-2,2,2-TRIFLUORO-1-(4-HYDROXYPHENYL)ETHYL]-L-ALANINAMIDE | n/a | |
| 40 | P25774_DMS | DMS | DB01093 | 679 | CHEMBL504 | DIMETHYL SULFOXIDE | n/a | |
| 41 | P25774_EDO | EDO | n/a | 174 | CHEMBL457299 | 1,2-ETHANEDIOL | n/a | |
| 42 | P25774_EF3 | EF3 | n/a | n/a | n/a | (E)-1-(1-methyl-6-{4-[3-(4-methylpiperazin-1-yl)propoxy]-3-(trifluoromethyl)phenyl}-1H-imidazo[4,5-c]pyridin-4-yl)methanimine | n/a | |
| 43 | P25774_EOH | EOH | DB00898 | 702 | CHEMBL545 | ETHANOL | n/a | |
| 44 | P25774_FLC | FLC | n/a | 31348 | n/a | CITRATE ANION | n/a | |
| 45 | P25774_GNF | GNF | DB07839 | 6420159 | CHEMBL204785 | N~2~-1,3-BENZOXAZOL-2-YL-3-CYCLOHEXYL-N-{2-[(4-METHOXYPHENYL)AMINO]ETHYL}-L-ALANINAMIDE | n/a | Ki(nM) = 29.0 |
| 46 | P25774_GNQ | GNQ | n/a | 9547980 | CHEMBL212604 | N-[(1R)-1-[(BENZYLSULFONYL)METHYL]-2-{[(1S)-1-METHYL-2-{[4-(TRIFLUOROMETHOXY)PHENYL]AMINO}ETHYL]AMINO}-2-OXOETHYL]MORPHOLINE-4-CARBOXAMIDE | n/a | |
| 47 | P25774_GOL | GOL | DB09462 | 753 | CHEMBL692 | GLYCEROL | n/a | |
| 48 | P25774_H7J | H7J | DB07878 | 46937102 | n/a | N-[(1S)-1-{1-[(1R,3E)-1-ACETYLPENT-3-EN-1-YL]-1H-1,2,3-TRIAZOL-4-YL}-1,2-DIMETHYLPROPYL]BENZAMIDE | n/a | |
| 49 | P25774_MLA | MLA | DB02175 | 867;23511544; | CHEMBL7942 | MALONIC ACID | n/a | |
| 50 | P25774_MO9 | MO9 | DB08195 | 9547943 | n/a | (1R)-2-[(CYANOMETHYL)AMINO]-1-({[2-(DIFLUOROMETHOXY)BENZYL]SULFONYL}METHYL)-2-OXOETHYL MORPHOLINE-4-CARBOXYLATE | n/a | |
| 51 | P25774_MQQ | MQQ | n/a | 11840964 | n/a | N-[(1S)-1-[({(1S)-3-PHENYL-1-[2-(PHENYLSULFONYL)ETHYL]PROPYL}AMINO)CARBONYL]-3-(PHENYLSULFONYL)PROPYL]MORPHOLINE-4-CARBOXAMIDE | n/a | |
| 52 | P25774_N2A | N2A | n/a | 46174174 | CHEMBL1171504 | N-[2-chloro-5-(1-{3-[4-(6-chloro-3-methyl-2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)piperidin-1-yl]propyl}-6-oxo-1,6-dihydropyrimidin-5-yl)benzyl]-4-fluorobenzamide | n/a | |
| 53 | P25774_N2D | N2D | n/a | 46174175 | CHEMBL1171314 | N-[2-chloro-5-(1-{3-[4-(6-chloro-3-methyl-2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)piperidin-1-yl]propyl}-6-oxo-1,6-dihydropyridazin-3-yl)benzyl]benzamide | n/a | |
| 54 | P25774_O64 | O64 | n/a | 49867422 | n/a | 2-chloro-N-[(1S)-1-formylpropyl]-3-(trifluoromethyl)benzamide | n/a | |
| 55 | P25774_P15 | P15 | n/a | 90207 | n/a | 2,5,8,11,14,17-HEXAOXANONADECAN-19-OL | n/a | |
| 56 | P25774_PEG | PEG | n/a | 8117 | CHEMBL1235226 | DI(HYDROXYETHYL)ETHER | n/a | |
| 57 | P25774_PEU | PEU | n/a | 5327147 | n/a | 2,5,8,11,14,17,20,23,26,29,32,35,38,41,44,47,50,53,56,59,62,65,68,71,74,77,80-HEPTACOSAOXADOOCTACONTAN-82-OL | n/a | |
| 58 | P25774_Q1E | Q1E | n/a | 155923708 | CHEMBL4779026 | ~{N}-methyl-3-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]sulfonyl-propanamide | n/a | |
| 59 | P25774_Q1H | Q1H | n/a | 16227113 | n/a | 1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-amine | n/a | |
| 60 | P25774_Q1K | Q1K | n/a | 25889761 | CHEMBL4792093 | 6-(4-methylsulfonylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine | n/a | |
| 61 | P25774_Q1N | Q1N | n/a | n/a | n/a | (2~{R})-~{N}-(2-azanylideneethyl)-2-[2-(3-methyl-1,2-oxazol-5-yl)ethanoylamino]-3-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-propanamide | n/a | |
| 62 | P25774_Q1Q | Q1Q | n/a | 28820452 | n/a | (6~{R})-2-phenyl-5,6,7,8-tetrahydroquinazolin-6-amine | n/a | |
| 63 | P25774_SIN | SIN | DB00139 | 1110;21952380; | CHEMBL576 | SUCCINIC ACID | n/a | |
| 64 | P25774_SO4 | SO4 | DB14546 | 1117 | n/a | SULFATE ION | n/a | |
| 65 | P25774_TF5 | TF5 | DB08611 | 46937163 | n/a | 2-[(2',3',4'-TRIFLUOROBIPHENYL-2-YL)OXY]ETHANOL | inhibitor | |
| 66 | P25774_Y11 | Y11 | DB08752 | 9887557 | CHEMBL1236882 | N-[(1S)-2-[(4-cyano-1-methylpiperidin-4-yl)amino]-1-(cyclohexylmethyl)-2-oxoethyl]morpholine-4-carboxamide | n/a | IC50(nM) = 0.9 |
| 67 | P25774_Y14 | Y14 | n/a | 49867880 | n/a | N-[(1S)-2-{[(3S)-1-benzyl-3-cyanopyrrolidin-3-yl]amino}-1-(cyclohexylmethyl)-2-oxoethyl]morpholine-4-carboxamide | n/a | |
| 68 | P25774_Y15 | Y15 | DB08755 | 46937176 | n/a | N-[(1S)-2-{[(1R)-2-(benzyloxy)-1-cyano-1-methylethyl]amino}-1-(cyclohexylmethyl)-2-oxoethyl]morpholine-4-carboxamide | n/a | |
| 69 | P25774_ZN | ZN | n/a | 32051 | CHEMBL1236970 | ZINC ION | n/a | |
| 70 | P25774_DB03837 | n/a | DB03837 | n/a | n/a | Morpholine-4-Carboxylic Acid (1-(3-Benzenesulfonyl-1-Phenethylallylcarbamoyl)-3-Methylbutyl)-Amide | n/a | |
| 71 | P25774_2RC | 2RC | DB12010 | 11671467 | CHEMBL2103830 | Fostamatinib | inhibitor |