Target Poor or Non Binder(s) Information
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T76024 | Target Info | |||
| Target Name | Complement C1s component (C1S) | ||||
| Synonyms |
Complement component 1 subcomponent s; Complement C1s subcomponent; C1-esterase; C1 esterase
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| Target Type | Successful Target | ||||
| Gene Name | C1S | ||||
| Biochemical Class | Peptidase | ||||
| UniProt ID | |||||
| Poor Binders of This Target (in total, 9 binders) | Download | Top | |||
|---|---|---|---|---|---|
| Compound Name |
(2R)-2-[[(2R)-2-[[2-[[2-[[2-[[(2S)-2-[[(1R,7S,10S,13S,16S,22S,25S,28S,40R,43S,46S,49S,52S,58S,61S)-40-Acetamido-43,52-bis(2-amino-2-oxoethyl)-13-(carboxymethyl)-46-[(1R)-1-hydroxyethyl]-10,49,61-tris(1H-indol-3-ylmethyl)-16-methyl-25-(2-methylpropyl)-2,8,11,14,17,23,26,41,44,47,50,53,59,62-tetradecaoxo-30,38,65-trithia-3,9,12,15,18,24,27,42,45,48,51,54,60,63-tetradecazahexacyclo[32.29.3.132,36.03,7.018,22.054,58]heptahexaconta-32,34,36(67)-triene-28-carbonyl]amino]propanoyl]-methylamino]acetyl]-methylamino]acetyl]-methylamino]acetyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL4059991; BDBM50256261
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| Activity |
Ki ~ 50000 nM
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[1] | |||
| Compound Name |
(7R,10S,13S,21S,24S,27S,30S,33S,36S,39S,42S,45R)-7-Acetamido-36-(3-amino-3-oxopropyl)-13-benzyl-24-(4-carbamimidamidobutyl)-39-(carboxymethyl)-10-(hydroxymethyl)-21-[(4-hydroxyphenyl)methyl]-33-(1H-imidazol-5-ylmethyl)-30-methyl-42-(2-methylpropyl)-8,11,14,19,22,25,28,34,37,40,43-undecaoxo-5,47,52-trithia-9,12,15,20,23,26,29,32,35,38,41,44-dodecazatetracyclo[25.23.3.13,49.015,18]tetrapentaconta-1,3(54),49-triene-45-carboxylic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL4094403; BDBM50256260
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| Activity |
Ki ~ 50000 nM
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[1] | |||
| Compound Name |
(2R)-2-[[(2R)-2-[[2-[[2-[[2-[[(2S)-2-[[(7R,10S,13S,16S,22S,25S,28S,31R,34S,37S,45S,48S,51R)-51-Acetamido-45-benzyl-10-[(2S)-butan-2-yl]-34-(4-carbamimidamidobutyl)-13-(carboxymethyl)-48-(hydroxymethyl)-22,25,37-tris[(4-hydroxyphenyl)methyl]-9,12,15,21,24,27,30,33,36,39,44,47,50-tridecaoxo-28-propan-2-yl-5,53,58-trithia-8,11,14,20,23,26,29,32,35,38,43,46,49-tridecazapentacyclo[29.25.3.13,55.016,20.040,43]hexaconta-1(56),2,55(60)-triene-7-carbonyl]amino]propanoyl]-methylamino]acetyl]-methylamino]acetyl]-methylamino]acetyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL4070056; BDBM50256262
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| Activity |
Ki ~ 50000 nM
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[1] | |||
| Compound Name |
3,5-Dimethylbenzenecarboximidamide
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Investigative | Compound Info | ||
| Synonyms |
3,5-Dimethylbenzamidine; CHEMBL3247192; 3,5-DIMETHYL-BENZAMIDINE; Benzenecarboximidamide, 3,5-dimethyl-; 3,5-Dimethylbenzimidamide; SCHEMBL21792281; CTK4F7120; DTXSID90391752; ZINC1437802; BDBM50010256; Benzenecarboximidamide,3,5-dimethyl-; AKOS010915560; SC-40633
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| Activity |
Ki = 79432.82 nM
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[2] | |||
| Compound Name |
3-Bromo-benzamidine
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Investigative | Compound Info | ||
| Synonyms |
3-Bromobenzimidamide; 3-bromobenzenecarboximidamide; 3-bromobenzamidine; 3-bromobenzene-1-carboximidamide; CHEMBL3247191; Benzenecarboximidamide, 3-bromo-; SCHEMBL423581; Benzenecarboximidamide,3-bromo-; CTK4F7182; DTXSID90404972; ZINC1437887; 2211AJ; BDBM50010255; MFCD05662834; AKOS009302769; MCULE-9122583730; NE62735; SB36260; AS-61010; BC005185; SC-40679; FT-0769077
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| Activity |
Ki = 100000 nM
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[2] | |||
| Compound Name |
(17S,20R)-20-(Benzylsulfonylamino)-N-[(4-carbamimidoylphenyl)methyl]-3,10,19-trioxo-2,5,8,11,18-pentazatetracyclo[20.2.2.25,8.212,15]triaconta-1(25),12,14,22(26),23,27-hexaene-17-carboxamide;2,2,2-trifluoroacetic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2315239
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| Activity |
Ki ~ 100000 nM
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[3] | |||
| Compound Name |
3,4-Dimethyl-benzamidine
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Investigative | Compound Info | ||
| Synonyms |
3,4-DIMETHYLBENZIMIDAMIDE; 3,4-dimethylbenzenecarboximidamide; 3,4-DIMETHYLBENZAMIDINE; CHEMBL3247190; Benzenecarboximidamide, 3,4-dimethyl-; SCHEMBL8404520; CTK4F7119; DTXSID20411058; ZINC1437801; 5252AH; BDBM50010254; Benzenecarboximidamide,3,4-dimethyl-; AKOS002392067; AB21798; NE63197; AK153697; SC-40487; DB-067536; FT-0726516; 3,4-DIMETHYLBENZENE-1-CARBOXIMIDAMIDE; 130D472; A818194
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| Activity |
Ki = 125892.54 nM
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[2] | |||
| Compound Name |
3-Methoxy-benzamidine
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Investigative | Compound Info | ||
| Synonyms |
3-Methoxybenzimidamide; 3-methoxybenzenecarboximidamide; 3-Methoxybenzamidine; CHEMBL3247189; Benzenecarboximidamide,3-methoxy-; 5-methoxybenzamidine; 3-methoxybenzenecarboxamidine; SCHEMBL428920; CTK4F5694; DTXSID00408426; 3-methoxybenzene-1-carboximidamide; Benzenecarboximidamide, 3-methoxy-; ZINC1439405; 2322AJ; BDBM50010253; STL253522; AKOS000168993; MCULE-9305717157; NE62873; SB36205; AK137713; DA-17011; BB 0238635; FT-0716825; ST45243326; Z-8586
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| Activity |
Ki = 158489.32 nM
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[2] | |||
| Compound Name |
3-(Dimethylamino)benzenecarboximidamide;2,4,6-trinitrophenol
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3392242
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| Activity |
Ki = 199526.23 nM
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[2] | |||
| Click to Show/Hide the Information of All Poor Binders | |||||
| Non Binders of This Target (in total, 14 non binders) | Download | Top | |||
|---|---|---|---|---|---|
| Compound Name |
m-Aminobenzamidine hydrochloride
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Investigative | Compound Info | ||
| Synonyms |
Benzamidine, m-amino-, monohydrochloride; Benzenecarboximidamide, 3-amino-, monohydrochloride; 3-aminobenzamidine hydrochloride; CHEMBL3247186; 3-Aminobenzenecarboximidamide monohydrochloride; EINECS 222-400-6; SCHEMBL5899967; DTXSID90188149; 3-aminobenzenecarboxamidine, chloride; BDBM50010250; AKOS024374896; GS-5441; MCULE-7810215961; KS-0000261T; 3-aminobenzenecarboximidamide;hydrochloride; FT-0758040; ST51014895; 3-aminobenzene-1-carboximidamide hydrochloride; Benzenecarboximidamide, 3-amino-, monohydrochloride (9CI)
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| Activity |
Ki = 251188.64 nM
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[2] | |||
| Compound Name |
3-Phenylbenzenecarboximidamide
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Investigative | Compound Info | ||
| Synonyms |
BIPHENYL-3-CARBOXAMIDINE; CHEMBL3247187; [1,1'-Biphenyl]-3-carboximidamide; 1,1'-Biphenyl-3-carboxamidine; SCHEMBL14676446; CTK1A1588; 3-phenylbenzene-1-carboximidamide; DTXSID30393699; ZINC1437951; BDBM50010252; AKOS006293461
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| Activity |
Ki = 251188.64 nM
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[2] | |||
| Compound Name |
3-Nitrobenzamidine hydrochloride
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Investigative | Compound Info | ||
| Synonyms |
m-Nitrobenzamidine hydrochloride; 3-NITROBENZENE-1-CARBOXIMIDAMIDE HYDROCHLORIDE; 3-Nitrobenzenecarboximidamide hydrochloride; 3-Nitrobenzimidamide hydrochloride; 3-nitrobenzenecarboximidamide;hydrochloride; ACMC-1AWL2; SCHEMBL1262882; CHEMBL3350788; 3-nitro-benzamidine hydrochloride; CTK8C5933; KS-00001KOC; DTXSID00971847; 3-nitrobenzenecarboxamidine, chloride; MFCD00012844; NSC310196; AKOS008090187; AKOS015889236; 3-Nitrobenzamidine hydrochloride, 95%; AB01110; CD-0706; MCULE-5916113905; NE10715; NSC-310196; BP-12505; SC-41158; DB-052910; FT-0640382; ST51006852; F1905-7011; 3-Nitrobenzene-1-carboximidamide--hydrogen chloride (1/1)
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| Activity |
Ki = 501187.23 nM
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[2] | |||
| Compound Name |
Benzamidine hydrochloride hydrate
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Investigative | Compound Info | ||
| Synonyms |
Benzenecarboximidamide hydrochloride hydrate; benzamidine hydrate hydrochloride; Benzamidinehydrochloridehydrate; Benzamidinium chloride; benzamidine hydrochloride monohydrate; MFCD00066285; Amidinobenzene hydrochloride; benzenecarboximidamide;hydrate;hydrochloride; Benzamidine hydrochloride hydrate, 98%; Benzamidine hydrochloride, 99%; SMR000326732; Benzamidine HCl hydrate; ACMC-20a6bw; BENZAMIDINE HYDROCHLORIDE MONOHYDRATE 99+%; KSC491M3D; MLS000859669; MLS001056775; benzamidin hydrochloride hydrate; CHEMBL1528282; CTK3J1631; Benzenecarboximidamide HCl hydrate; DTXSID70585091; Benzimidamide hydrochloride hydrate; KS-00000EM9; STR01054; ANW-59130; SBB055167; benzimidamide hydrochloride monohydrate; AKOS015889025; benzenecarboxamidine, chloride, hydrate; AC-4789; PS-8610; AK-48017; Benzamidine hydrochloride hydrate, >=99%; SC-05937; SY018319; benzenecarboximidamide hydrate hydrochloride; AB0061775; AM20030117; FT-0622633; FT-0695723; B-0500; Z-4439; Benzenecarboximidamide, hydrochloride, hydrate (1:1:); F0001-0736
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| Activity |
Ki = 630957.34 nM
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[2] | |||
| Compound Name |
3-Benzylbenzamidine
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3247185; 3-benzylbenzenecarboximidamide; BDBM50010249; ZINC39191567
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| Activity |
Ki = 630957.34 nM
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[2] | |||
| Compound Name |
2-Methyl-benzamidine
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Investigative | Compound Info | ||
| Synonyms |
2-Methylbenzimidamide; 2-Methylbenzenecarboximidamide; 2-methylbenzamidine; CHEMBL3247182; o-Toluamidine; methyl-benzamidine; Benzamidine, 2-methyl-; SCHEMBL3368840; 2-Methylbenzenecarboximidamide #; Benzenecarboximidamide,2-methyl-; CTK4D9222; DTXSID00341884; ZINC1439402; 1807AJ; BDBM50010245; MFCD05663318; AKOS000184773; MCULE-3830416568; NE62768; SB34636; SC-40472; FT-0740244
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| Activity |
Ki = 1584893.19 nM
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[2] | |||
| Compound Name |
CID 309369
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3247193; ZINC1749234; BDBM50010258; AKOS012235388
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| Activity |
Ki = 2511886.43 nM
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[2] | |||
| Compound Name |
3-Carbamimidoylbenzoic Acid
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Investigative | Compound Info | ||
| Synonyms |
UNII-4HDD4R2AEW; 4HDD4R2AEW; CHEMBL3247184; 3-CARBAMIMIDOYL-BENZOIC ACID; 3-amidinobenzoic acid; Ataluren metabolite M2; SCHEMBL431391; 3-(aminoiminomethyl)benzoic acid; CTK7D1934; DTXSID00962715; ZINC4202678; BDBM50010247; AKOS006276125; Cyclopentanecarboxylicacid, 2-hydroxy-, methyl ester, (1R,2S)-rel-
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| Activity |
Ki = 6309573.44 nM
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[2] | |||
| Compound Name |
3-(Hydroxymethyl)benzene-1-carboximidamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3247181; SCHEMBL8542393; DTXSID60655656; 3-(HYDROXYMETHYL)BENZAMIDINE; BDBM50010244; ZINC36949597; AKOS009346014; SC-38638
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| Activity |
Ki = 10000000 nM
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[2] | |||
| Compound Name |
4-Ethoxy-benzamidine
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Investigative | Compound Info | ||
| Synonyms |
4-Ethoxybenzimidamide; 4-ethoxybenzenecarboximidamide; 4-ethoxybenzamidine; CHEMBL3138975; Benzenecarboximidamide, 4-ethoxy-; Benzenecarboximidamide,4-ethoxy-; SCHEMBL428950; CTK4F5696; DTXSID10407788; ZINC1444883; BDBM50010279; MFCD05663101; STL480833; AKOS000186822; MCULE-5988140201; SC-13081; K-6673
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| Activity |
Ki > 100000000 nM
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[2] | |||
| Compound Name |
4-Methoxybenzenecarboximidamide
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Investigative | Compound Info | ||
| Synonyms |
4-Methoxy-benzamidine; 4-Methoxybenzimidamide; 4-Methoxybenzamidine; 4-(Methyloxy)benzenecarboximidamide; CHEMBL3138844; 4-methoxybenzene-1-carboximidamide; 4-methoxybenzenecarboxamidine; 4-Methoxyl-benzamidine; SCHEMBL428892; CTK4E9043; Benzenecarboximidamide,4-methoxy-; DTXSID20281672; ZINC391171; ALBB-006991; 1267AB; 4-Methoxybenzamidine,for fluorescence; BBL013949; BDBM50010287; MFCD00029547; SBB048505; STK500938; AKOS000194764; GS-3552; MCULE-3053563570; SB35548; SC-40538; AB0177863; BB 0238638; R1585; ST45219988; 65M378; Z228583094; 4-Methoxybenzamidine, suitable for fluorescence, >=96.0% (NT)
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| Activity |
Ki > 100000000 nM
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[2] | |||
| Compound Name |
3-N'-Naphthalen-1-ylbenzene-1,3-dicarboximidamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3247195; BDBM50010304
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| Activity |
Ki > 100000000 nM
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[2] | |||
| Compound Name |
3-Amidinophenylpyruvic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3247194; meta-Appa; 3-(3-carbamimidoylphenyl)-2-oxopropanoic acid; SCHEMBL19990975; CTK4J6570; DTXSID00200801; BDBM50010303; 2-Oxo-3-(3-amidinophenyl)propanoic acid; Benzenepropanoic acid,3-(aminoiminomethyl)-a-oxo-; Benzenepropanoic acid, 3-(aminoiminomethyl)-alpha-oxo-
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| Activity |
Ki > 100000000 nM
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[2] | |||
| Compound Name |
4-Nitrobenzamidine
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Investigative | Compound Info | ||
| Synonyms |
4-Nitro-benzamidine; 4-nitrobenzenecarboximidamide; p-Nitrobenzamidine; Benzenecarboximidamide, 4-nitro-; EINECS 246-952-2; 4-nitrobenzimidamide; SCHEMBL628983; Benzenecarboximidamide,4-nitro-; CHEMBL3350787; BDBM93099; CTK4F5697; DTXSID20180075; ZINC2565176; MFCD01027042; STK396205; AKOS005431301; MB01641; MCULE-6868165476; SC-39188; DB-067394; BB 0240258; FT-0701588; 12N753; N-1005
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| Activity |
Ki = 100000000 nM
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[2] | |||
| Click to Show/Hide the Information of All Non Binders | |||||
| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Stable and Long-Lasting, Novel Bicyclic Peptide Plasma Kallikrein Inhibitors for the Treatment of Diabetic Macular Edema. J Med Chem. 2018 Apr 12;61(7):2823-2836. | ||||
| REF 2 | Inhibition of four human serine proteases by substituted benzamidines. J Med Chem. 1978 Dec;21(12):1202-7. | ||||
| REF 3 | Development of new cyclic plasmin inhibitors with excellent potency and selectivity. J Med Chem. 2013 Feb 14;56(3):820-31. | ||||
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