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P25774

CTSS Cathepsin S

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Lists of molecules and drugs that interact with protein P25774
DrugDomain DataDrugBank IDPDB LigandLigand NameChEMBLPubChemInChIKey
ExploreDB00139SIN
SUCCINIC ACID
CHEMBL5761110;21952380KDYFGRWQOYBRFD-UHFFFAOYSA-N
ExploreDB00898EOH
ETHANOL
CHEMBL545702LFQSCWFLJHTTHZ-UHFFFAOYSA-N
ExploreDB01093DMS
DIMETHYL SULFOXIDE
CHEMBL504679IAZDPXIOMUYVGZ-UHFFFAOYSA-N
ExploreDB02175MLA
MALONIC ACID
CHEMBL794223511544;867OFOBLEOULBTSOW-UHFFFAOYSA-N
ExploreDB03767BLN
MORPHOLINE-4-CARBOXYLIC ACID [1S-(2-BENZYLOXY-1R-CYANO-ETHYLCARBAMOYL)-3-METHYL-BUTYL]AMIDE
CHEMBL1538135287799LXEDKIMJQBOMSU-MOPGFXCFSA-N
ExploreDB03837C1P
N~2~-(morpholin-4-ylcarbonyl)-N-[(3S)-1-phenyl-5-(phenylsulfonyl)pentan-3-yl]-L-leucinamide
None23585984IHIAYQGDASIWGA-AHWVRZQESA-N
ExploreDB03984C4P
N-[(1R)-2-(BENZYLSULFANYL)-1-FORMYLETHYL]-N-(MORPHOLIN-4-YLCARBONYL)-L-PHENYLALANINAMIDE
None5287870MWTQNXVXPLTHJB-YADHBBJMSA-N
ExploreDB07520C28
N-[1-(AMINOMETHYL)CYCLOPROPYL]-3-(MORPHOLIN-4-YLSULFONYL)-N~2~-[(1S)-2,2,2-TRIFLUORO-1-(4-FLUOROPHENYL)ETHYL]-L-ALANINAMIDE
None11840930BJIKKEHGGYGGIX-HOTGVXAUSA-N
ExploreDB07587CRJ
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
None11840933JLPXDVXMMYRTKN-ZOBUZTSGSA-N
ExploreDB07589CRV
N-[1-(AMINOMETHYL)CYCLOPROPYL]-3-(BENZYLSULFONYL)-N~2~-[(1S)-2,2,2-TRIFLUORO-1-(4-HYDROXYPHENYL)ETHYL]-L-ALANINAMIDE
None11840934DWWVPKCSDHDILN-OALUTQOASA-N
ExploreDB07839GNF
N~2~-1,3-BENZOXAZOL-2-YL-3-CYCLOHEXYL-N-{2-[(4-METHOXYPHENYL)AMINO]ETHYL}-L-ALANINAMIDE
CHEMBL2047856420159VFNWTXUFNNOQHD-QFIPXVFZSA-N
ExploreDB07878H7J
N-[(1S)-1-{1-[(1R,3E)-1-ACETYLPENT-3-EN-1-YL]-1H-1,2,3-TRIAZOL-4-YL}-1,2-DIMETHYLPROPYL]BENZAMIDE
None46937102OEHUTYXPQSSKAK-RVLLMHTFSA-N
ExploreDB08195MO9
(1R)-2-[(CYANOMETHYL)AMINO]-1-({[2-(DIFLUOROMETHOXY)BENZYL]SULFONYL}METHYL)-2-OXOETHYL MORPHOLINE-4-CARBOXYLATE
None9547943YKWHKILAGONYKL-HNNXBMFYSA-N
ExploreDB08611TF5
2-[(2',3',4'-TRIFLUOROBIPHENYL-2-YL)OXY]ETHANOL
None46937163AGXPXFPIOHNDAN-UHFFFAOYSA-N
ExploreDB08752Y11
N-[(1S)-2-[(4-cyano-1-methylpiperidin-4-yl)amino]-1-(cyclohexylmethyl)-2-oxoethyl]morpholine-4-carboxamide
CHEMBL12368829887557IRSOCWQJNYLTDD-SFHVURJKSA-N
ExploreDB08755Y15
N-[(1S)-2-{[(1R)-2-(benzyloxy)-1-cyano-1-methylethyl]amino}-1-(cyclohexylmethyl)-2-oxoethyl]morpholine-4-carboxamide
None46937176MQWUTQCRGGBPBT-WIOPSUGQSA-N
ExploreDB09462GOL
GLYCEROL
CHEMBL692753PEDCQBHIVMGVHV-UHFFFAOYSA-N
ExploreDB120102RC
[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
CHEMBL210383011671467GKDRMWXFWHEQQT-UHFFFAOYSA-N
ExploreDB14511ACT
ACETATE ION
None175QTBSBXVTEAMEQO-UHFFFAOYSA-M
ExploreDB14546SO4
SULFATE ION
None1117QAOWNCQODCNURD-UHFFFAOYSA-L
ExploreNone2FC
N-[(8R)-8-(benzoylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]-4-methylpiperazine-1-carboxamide
None86208094QTWWLOSRVGQGNN-OAQYLSRUSA-N
ExploreNone2FZ
(3R,4S)-4-[(4-fluorobenzoyl)amino]-6-[4-(oxetan-3-yl)piperazin-1-yl]-3,4-dihydro-2H-chromen-3-yl methylcarbamate
CHEMBL334255367475270NDEBZCZEAVMSQF-GOTSBHOMSA-N
ExploreNone599
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
CHEMBL57524244224000IWTCFPKHJADUJG-UHFFFAOYSA-N
ExploreNone935
(E)-1-(6-{4-[3-(4-methylpiperazin-1-yl)propoxy]-3-(trifluoromethyl)phenyl}pyridin-2-yl)methanimine
Nonen/aBNDJQLLXZUKTHM-MFKUBSTISA-N
ExploreNone93N
6-{4-[3-(4-methylpiperazin-1-yl)propoxy]-3-(trifluoromethyl)phenyl}pyridine-2-carbonitrile
CHEMBL120914746238539CWICZCHZPOSFKO-UHFFFAOYSA-N
ExploreNoneB8J
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
None22293651MHNXUUQVKHVSPU-UHFFFAOYSA-N
ExploreNoneB8S
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
CHEMBL117150346911715LWFRBSJHBRLMJP-UHFFFAOYSA-N
ExploreNoneB8V
(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
None131953435VEQXQVUVDISNGH-MHZLTWQESA-N
ExploreNoneB8Y
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
CHEMBL117150549797978MNEPYBOQUOAGHK-UHFFFAOYSA-N
ExploreNoneB9S
(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
None131953437QCRLHLMORQICFX-SANMLTNESA-N
ExploreNoneB9Y
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
CHEMBL108961646884388QFMAXTIVGRIBEI-QHCPKHFHSA-N
ExploreNoneBAJ
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
None131953440CJOOHSAYHGMMHB-UHFFFAOYSA-N
ExploreNoneBC7
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
None131953439QMRXULKWYQUBRF-XMMPIXPASA-N
ExploreNoneBCJ
(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
None69079589CKJQVJQFVFWPOY-SVBPBHIXSA-N
ExploreNoneBCQ
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
None20846105KPLOSZKQTFPNFM-MIUCGUHXSA-N
ExploreNoneBFV
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
None69099177LIGRCXVOYJUELL-UHFFFAOYSA-N
ExploreNoneBG7
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
None131953442YYKUWQZWTBVESL-UHFFFAOYSA-N
ExploreNoneBGJ
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
None69099012HQHJSIFCCGLWGY-UHFFFAOYSA-N
ExploreNoneBGY
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
None131953444ZBMNZIVATWUSMD-UHFFFAOYSA-N
ExploreNoneBHJ
{(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
None69099409BIYANWMTXPESQI-UMSFTDKQSA-N
ExploreNoneBHV
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
None131953443VGHVCBNZEGIXOJ-UHFFFAOYSA-N
ExploreNoneBJD
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
None59780493IZBBHSKSQLPYHT-UHFFFAOYSA-N
ExploreNoneBJJ
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
None25026363ZWXXUSFMMWHRMT-UHFFFAOYSA-N
ExploreNoneBJS
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
None59780645CIONECARUUEYBQ-SANMLTNESA-N
ExploreNoneBJV
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
None69322707XDJYRFZPTINNSF-UHFFFAOYSA-N
ExploreNoneBJY
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
None137349012;166612019OHGFFZPHDXPGML-QFIPXVFZSA-O
ExploreNoneBQJ
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
None131953436NUSUQUBVOSMEDW-UHFFFAOYSA-N
ExploreNoneBQP
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
None131953438HHMNMVKIYRQSRB-UHFFFAOYSA-N
ExploreNoneBQS
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
None131953441QKTCJJYONPZDQD-UHFFFAOYSA-N
ExploreNoneC71
N-[4-(AMINOMETHYL)-1,1-DIOXIDOTETRAHYDRO-2H-THIOPYRAN-4-YL]-3-(1-METHYLCYCLOPENTYL)-N~2~-[(1E)-N-(PHENYLSULFONYL)ETHANIMIDOYL]-L-ALANINAMIDE
None11840931HHATUZWPRPHWDY-FQEVSTJZSA-N
ExploreNoneCL
CHLORIDE ION
None312VEXZGXHMUGYJMC-UHFFFAOYSA-M
ExploreNoneCRL
N-{(1R)-2-[(4-CYANO-1,1-DIOXIDOTETRAHYDRO-2H-THIOPYRAN-4-YL)AMINO]-2-OXO-1-[(TRIMETHYLSILYL)METHYL]ETHYL}MORPHOLINE-4-CARBOXAMIDE
None10062711VASVHRZIUGJLOH-AWEZNQCLSA-N
ExploreNoneEDO
1,2-ETHANEDIOL
CHEMBL457299174LYCAIKOWRPUZTN-UHFFFAOYSA-N
ExploreNoneEF3
(E)-1-(1-methyl-6-{4-[3-(4-methylpiperazin-1-yl)propoxy]-3-(trifluoromethyl)phenyl}-1H-imidazo[4,5-c]pyridin-4-yl)methanimine
Nonen/aMZJARPQAOGJEES-MZJWZYIUSA-N
ExploreNoneFLC
CITRATE ANION
None31348KRKNYBCHXYNGOX-UHFFFAOYSA-K
ExploreNoneGNQ
N-[(1R)-1-[(BENZYLSULFONYL)METHYL]-2-{[(1S)-1-METHYL-2-{[4-(TRIFLUOROMETHOXY)PHENYL]AMINO}ETHYL]AMINO}-2-OXOETHYL]MORPHOLINE-4-CARBOXAMIDE
CHEMBL2126049547980LIOLGHUQUQDMDF-AVRDEDQJSA-N
ExploreNoneMQQ
N-[(1S)-1-[({(1S)-3-PHENYL-1-[2-(PHENYLSULFONYL)ETHYL]PROPYL}AMINO)CARBONYL]-3-(PHENYLSULFONYL)PROPYL]MORPHOLINE-4-CARBOXAMIDE
None11840964UBNUVKZLXUKEGC-FIBWVYCGSA-N
ExploreNoneN2A
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
CHEMBL117150446174174UUSUCXDJVSXCBL-UHFFFAOYSA-N
ExploreNoneN2D
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
CHEMBL117131446174175ZJXORVFCSQEKCZ-UHFFFAOYSA-N
ExploreNoneO64
2-chloro-N-[(1S)-1-formylpropyl]-3-(trifluoromethyl)benzamide
None49867422NPWUKONGKBALPD-ZETCQYMHSA-N
ExploreNoneP15
2,5,8,11,14,17-HEXAOXANONADECAN-19-OL
None90207FHHGCKHKTAJLOM-UHFFFAOYSA-N
ExploreNonePEG
DI(HYDROXYETHYL)ETHER
CHEMBL12352268117MTHSVFCYNBDYFN-UHFFFAOYSA-N
ExploreNonePEU
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
None5327147ISGUIIHZEJGUGQ-UHFFFAOYSA-N
ExploreNoneQ1E
~{N}-methyl-3-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]sulfonyl-propanamide
CHEMBL4779026155923708KVLQRUOLMVHSTQ-UHFFFAOYSA-N
ExploreNoneQ1H
1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-amine
None16227113QYVPLFHAOLRMBY-UHFFFAOYSA-N
ExploreNoneQ1K
6-(4-methylsulfonylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine
CHEMBL479209325889761UNYVOSROGSXTRY-UHFFFAOYSA-N
ExploreNoneQ1N
(2~{R})-~{N}-(2-azanylideneethyl)-2-[2-(3-methyl-1,2-oxazol-5-yl)ethanoylamino]-3-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-propanamide
Nonen/aRJJWMSGSKPHRAN-NEEXXPDWSA-N
ExploreNoneQ1Q
(6~{R})-2-phenyl-5,6,7,8-tetrahydroquinazolin-6-amine
None28820452DBOFAIZAMCFPNL-GFCCVEGCSA-N
ExploreNoneY14
N-[(1S)-2-{[(3S)-1-benzyl-3-cyanopyrrolidin-3-yl]amino}-1-(cyclohexylmethyl)-2-oxoethyl]morpholine-4-carboxamide
None49867880OHVQFYYBGNOGJV-JYFHCDHNSA-N
ExploreNoneZN
ZINC ION
CHEMBL123697032051PTFCDOFLOPIGGS-UHFFFAOYSA-N