P25774
CTSS — Cathepsin S
Lists of molecules and drugs that interact with protein P25774
| DrugDomain Data | DrugBank ID | PDB Ligand | Ligand Name | ChEMBL | PubChem | InChIKey |
|---|---|---|---|---|---|---|
| Explore | DB00139 | SIN | SUCCINIC ACID | CHEMBL576 | 1110;21952380 | KDYFGRWQOYBRFD-UHFFFAOYSA-N |
| Explore | DB00898 | EOH | ETHANOL | CHEMBL545 | 702 | LFQSCWFLJHTTHZ-UHFFFAOYSA-N |
| Explore | DB01093 | DMS | DIMETHYL SULFOXIDE | CHEMBL504 | 679 | IAZDPXIOMUYVGZ-UHFFFAOYSA-N |
| Explore | DB02175 | MLA | MALONIC ACID | CHEMBL7942 | 23511544;867 | OFOBLEOULBTSOW-UHFFFAOYSA-N |
| Explore | DB03767 | BLN | MORPHOLINE-4-CARBOXYLIC ACID [1S-(2-BENZYLOXY-1R-CYANO-ETHYLCARBAMOYL)-3-METHYL-BUTYL]AMIDE | CHEMBL153813 | 5287799 | LXEDKIMJQBOMSU-MOPGFXCFSA-N |
| Explore | DB03837 | C1P | N~2~-(morpholin-4-ylcarbonyl)-N-[(3S)-1-phenyl-5-(phenylsulfonyl)pentan-3-yl]-L-leucinamide | None | 23585984 | IHIAYQGDASIWGA-AHWVRZQESA-N |
| Explore | DB03984 | C4P | N-[(1R)-2-(BENZYLSULFANYL)-1-FORMYLETHYL]-N-(MORPHOLIN-4-YLCARBONYL)-L-PHENYLALANINAMIDE | None | 5287870 | MWTQNXVXPLTHJB-YADHBBJMSA-N |
| Explore | DB07520 | C28 | N-[1-(AMINOMETHYL)CYCLOPROPYL]-3-(MORPHOLIN-4-YLSULFONYL)-N~2~-[(1S)-2,2,2-TRIFLUORO-1-(4-FLUOROPHENYL)ETHYL]-L-ALANINAMIDE | None | 11840930 | BJIKKEHGGYGGIX-HOTGVXAUSA-N |
| Explore | DB07587 | CRJ | 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 | None | 11840933 | JLPXDVXMMYRTKN-ZOBUZTSGSA-N |
| Explore | DB07589 | CRV | N-[1-(AMINOMETHYL)CYCLOPROPYL]-3-(BENZYLSULFONYL)-N~2~-[(1S)-2,2,2-TRIFLUORO-1-(4-HYDROXYPHENYL)ETHYL]-L-ALANINAMIDE | None | 11840934 | DWWVPKCSDHDILN-OALUTQOASA-N |
| Explore | DB07839 | GNF | N~2~-1,3-BENZOXAZOL-2-YL-3-CYCLOHEXYL-N-{2-[(4-METHOXYPHENYL)AMINO]ETHYL}-L-ALANINAMIDE | CHEMBL204785 | 6420159 | VFNWTXUFNNOQHD-QFIPXVFZSA-N |
| Explore | DB07878 | H7J | N-[(1S)-1-{1-[(1R,3E)-1-ACETYLPENT-3-EN-1-YL]-1H-1,2,3-TRIAZOL-4-YL}-1,2-DIMETHYLPROPYL]BENZAMIDE | None | 46937102 | OEHUTYXPQSSKAK-RVLLMHTFSA-N |
| Explore | DB08195 | MO9 | (1R)-2-[(CYANOMETHYL)AMINO]-1-({[2-(DIFLUOROMETHOXY)BENZYL]SULFONYL}METHYL)-2-OXOETHYL MORPHOLINE-4-CARBOXYLATE | None | 9547943 | YKWHKILAGONYKL-HNNXBMFYSA-N |
| Explore | DB08611 | TF5 | 2-[(2',3',4'-TRIFLUOROBIPHENYL-2-YL)OXY]ETHANOL | None | 46937163 | AGXPXFPIOHNDAN-UHFFFAOYSA-N |
| Explore | DB08752 | Y11 | N-[(1S)-2-[(4-cyano-1-methylpiperidin-4-yl)amino]-1-(cyclohexylmethyl)-2-oxoethyl]morpholine-4-carboxamide | CHEMBL1236882 | 9887557 | IRSOCWQJNYLTDD-SFHVURJKSA-N |
| Explore | DB08755 | Y15 | N-[(1S)-2-{[(1R)-2-(benzyloxy)-1-cyano-1-methylethyl]amino}-1-(cyclohexylmethyl)-2-oxoethyl]morpholine-4-carboxamide | None | 46937176 | MQWUTQCRGGBPBT-WIOPSUGQSA-N |
| Explore | DB09462 | GOL | GLYCEROL | CHEMBL692 | 753 | PEDCQBHIVMGVHV-UHFFFAOYSA-N |
| Explore | DB12010 | 2RC | [6-({5-fluoro-2-[(3,4,5-trimethoxyphenyl)amino]pyrimidin-4-yl}amino)-2,2-dimethyl-3-oxo-2,3-dihydro-4H-pyrido[3,2-b][1,4]oxazin-4-yl]methyl dihydrogen phosphate | CHEMBL2103830 | 11671467 | GKDRMWXFWHEQQT-UHFFFAOYSA-N |
| Explore | DB14511 | ACT | ACETATE ION | None | 175 | QTBSBXVTEAMEQO-UHFFFAOYSA-M |
| Explore | DB14546 | SO4 | SULFATE ION | None | 1117 | QAOWNCQODCNURD-UHFFFAOYSA-L |
| Explore | None | 2FC | N-[(8R)-8-(benzoylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]-4-methylpiperazine-1-carboxamide | None | 86208094 | QTWWLOSRVGQGNN-OAQYLSRUSA-N |
| Explore | None | 2FZ | (3R,4S)-4-[(4-fluorobenzoyl)amino]-6-[4-(oxetan-3-yl)piperazin-1-yl]-3,4-dihydro-2H-chromen-3-yl methylcarbamate | CHEMBL3342553 | 67475270 | NDEBZCZEAVMSQF-GOTSBHOMSA-N |
| Explore | None | 599 | 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 | CHEMBL575242 | 44224000 | IWTCFPKHJADUJG-UHFFFAOYSA-N |
| Explore | None | 935 | (E)-1-(6-{4-[3-(4-methylpiperazin-1-yl)propoxy]-3-(trifluoromethyl)phenyl}pyridin-2-yl)methanimine | None | n/a | BNDJQLLXZUKTHM-MFKUBSTISA-N |
| Explore | None | 93N | 6-{4-[3-(4-methylpiperazin-1-yl)propoxy]-3-(trifluoromethyl)phenyl}pyridine-2-carbonitrile | CHEMBL1209147 | 46238539 | CWICZCHZPOSFKO-UHFFFAOYSA-N |
| Explore | None | B8J | 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 | None | 22293651 | MHNXUUQVKHVSPU-UHFFFAOYSA-N |
| Explore | None | B8S | 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 | CHEMBL1171503 | 46911715 | LWFRBSJHBRLMJP-UHFFFAOYSA-N |
| Explore | None | B8V | (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 | None | 131953435 | VEQXQVUVDISNGH-MHZLTWQESA-N |
| Explore | None | B8Y | 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 | CHEMBL1171505 | 49797978 | MNEPYBOQUOAGHK-UHFFFAOYSA-N |
| Explore | None | B9S | (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 | None | 131953437 | QCRLHLMORQICFX-SANMLTNESA-N |
| Explore | None | B9Y | 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 | CHEMBL1089616 | 46884388 | QFMAXTIVGRIBEI-QHCPKHFHSA-N |
| Explore | None | BAJ | 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 | None | 131953440 | CJOOHSAYHGMMHB-UHFFFAOYSA-N |
| Explore | None | BC7 | 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 | None | 131953439 | QMRXULKWYQUBRF-XMMPIXPASA-N |
| Explore | None | BCJ | (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 | None | 69079589 | CKJQVJQFVFWPOY-SVBPBHIXSA-N |
| Explore | None | BCQ | 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 | None | 20846105 | KPLOSZKQTFPNFM-MIUCGUHXSA-N |
| Explore | None | BFV | 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 | None | 69099177 | LIGRCXVOYJUELL-UHFFFAOYSA-N |
| Explore | None | BG7 | 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 | None | 131953442 | YYKUWQZWTBVESL-UHFFFAOYSA-N |
| Explore | None | BGJ | 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 | None | 69099012 | HQHJSIFCCGLWGY-UHFFFAOYSA-N |
| Explore | None | BGY | 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 | None | 131953444 | ZBMNZIVATWUSMD-UHFFFAOYSA-N |
| Explore | None | BHJ | {(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 | None | 69099409 | BIYANWMTXPESQI-UMSFTDKQSA-N |
| Explore | None | BHV | 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 | None | 131953443 | VGHVCBNZEGIXOJ-UHFFFAOYSA-N |
| Explore | None | BJD | 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 | None | 59780493 | IZBBHSKSQLPYHT-UHFFFAOYSA-N |
| Explore | None | BJJ | 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 | None | 25026363 | ZWXXUSFMMWHRMT-UHFFFAOYSA-N |
| Explore | None | BJS | 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 | None | 59780645 | CIONECARUUEYBQ-SANMLTNESA-N |
| Explore | None | BJV | 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 | None | 69322707 | XDJYRFZPTINNSF-UHFFFAOYSA-N |
| Explore | None | BJY | 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 | None | 137349012;166612019 | OHGFFZPHDXPGML-QFIPXVFZSA-O |
| Explore | None | BQJ | 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 | None | 131953436 | NUSUQUBVOSMEDW-UHFFFAOYSA-N |
| Explore | None | BQP | 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 | None | 131953438 | HHMNMVKIYRQSRB-UHFFFAOYSA-N |
| Explore | None | BQS | 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 | None | 131953441 | QKTCJJYONPZDQD-UHFFFAOYSA-N |
| Explore | None | C71 | N-[4-(AMINOMETHYL)-1,1-DIOXIDOTETRAHYDRO-2H-THIOPYRAN-4-YL]-3-(1-METHYLCYCLOPENTYL)-N~2~-[(1E)-N-(PHENYLSULFONYL)ETHANIMIDOYL]-L-ALANINAMIDE | None | 11840931 | HHATUZWPRPHWDY-FQEVSTJZSA-N |
| Explore | None | CL | CHLORIDE ION | None | 312 | VEXZGXHMUGYJMC-UHFFFAOYSA-M |
| Explore | None | CRL | N-{(1R)-2-[(4-CYANO-1,1-DIOXIDOTETRAHYDRO-2H-THIOPYRAN-4-YL)AMINO]-2-OXO-1-[(TRIMETHYLSILYL)METHYL]ETHYL}MORPHOLINE-4-CARBOXAMIDE | None | 10062711 | VASVHRZIUGJLOH-AWEZNQCLSA-N |
| Explore | None | EDO | 1,2-ETHANEDIOL | CHEMBL457299 | 174 | LYCAIKOWRPUZTN-UHFFFAOYSA-N |
| Explore | None | EF3 | (E)-1-(1-methyl-6-{4-[3-(4-methylpiperazin-1-yl)propoxy]-3-(trifluoromethyl)phenyl}-1H-imidazo[4,5-c]pyridin-4-yl)methanimine | None | n/a | MZJARPQAOGJEES-MZJWZYIUSA-N |
| Explore | None | FLC | CITRATE ANION | None | 31348 | KRKNYBCHXYNGOX-UHFFFAOYSA-K |
| Explore | None | GNQ | N-[(1R)-1-[(BENZYLSULFONYL)METHYL]-2-{[(1S)-1-METHYL-2-{[4-(TRIFLUOROMETHOXY)PHENYL]AMINO}ETHYL]AMINO}-2-OXOETHYL]MORPHOLINE-4-CARBOXAMIDE | CHEMBL212604 | 9547980 | LIOLGHUQUQDMDF-AVRDEDQJSA-N |
| Explore | None | MQQ | N-[(1S)-1-[({(1S)-3-PHENYL-1-[2-(PHENYLSULFONYL)ETHYL]PROPYL}AMINO)CARBONYL]-3-(PHENYLSULFONYL)PROPYL]MORPHOLINE-4-CARBOXAMIDE | None | 11840964 | UBNUVKZLXUKEGC-FIBWVYCGSA-N |
| Explore | None | N2A | 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 | CHEMBL1171504 | 46174174 | UUSUCXDJVSXCBL-UHFFFAOYSA-N |
| Explore | None | N2D | 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 | CHEMBL1171314 | 46174175 | ZJXORVFCSQEKCZ-UHFFFAOYSA-N |
| Explore | None | O64 | 2-chloro-N-[(1S)-1-formylpropyl]-3-(trifluoromethyl)benzamide | None | 49867422 | NPWUKONGKBALPD-ZETCQYMHSA-N |
| Explore | None | P15 | 2,5,8,11,14,17-HEXAOXANONADECAN-19-OL | None | 90207 | FHHGCKHKTAJLOM-UHFFFAOYSA-N |
| Explore | None | PEG | DI(HYDROXYETHYL)ETHER | CHEMBL1235226 | 8117 | MTHSVFCYNBDYFN-UHFFFAOYSA-N |
| Explore | None | PEU | 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 | None | 5327147 | ISGUIIHZEJGUGQ-UHFFFAOYSA-N |
| Explore | None | Q1E | ~{N}-methyl-3-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]sulfonyl-propanamide | CHEMBL4779026 | 155923708 | KVLQRUOLMVHSTQ-UHFFFAOYSA-N |
| Explore | None | Q1H | 1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-amine | None | 16227113 | QYVPLFHAOLRMBY-UHFFFAOYSA-N |
| Explore | None | Q1K | 6-(4-methylsulfonylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine | CHEMBL4792093 | 25889761 | UNYVOSROGSXTRY-UHFFFAOYSA-N |
| Explore | None | Q1N | (2~{R})-~{N}-(2-azanylideneethyl)-2-[2-(3-methyl-1,2-oxazol-5-yl)ethanoylamino]-3-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-propanamide | None | n/a | RJJWMSGSKPHRAN-NEEXXPDWSA-N |
| Explore | None | Q1Q | (6~{R})-2-phenyl-5,6,7,8-tetrahydroquinazolin-6-amine | None | 28820452 | DBOFAIZAMCFPNL-GFCCVEGCSA-N |
| Explore | None | Y14 | N-[(1S)-2-{[(3S)-1-benzyl-3-cyanopyrrolidin-3-yl]amino}-1-(cyclohexylmethyl)-2-oxoethyl]morpholine-4-carboxamide | None | 49867880 | OHVQFYYBGNOGJV-JYFHCDHNSA-N |
| Explore | None | ZN | ZINC ION | CHEMBL1236970 | 32051 | PTFCDOFLOPIGGS-UHFFFAOYSA-N |