Target Poor or Non Binder(s) Information
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T76059 | Target Info | |||
| Target Name | FK506-binding protein 1A (FKBP1A) | ||||
| Synonyms |
Rotamase; Peptidyl-prolyl cis-trans isomerase FKBP1A; PPIase FKBP1A; Immunophillin FKBP; Immunophilin FKBP12; FKBP12; FKBP1; FKBP-1A; FKBP-12; FK-binding protein 12; Calstabin-1; 12 kDa FKBP; 12 kDa FK506-binding protein
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| Target Type | Successful Target | ||||
| Gene Name | FKBP1A | ||||
| Biochemical Class | Cis-trans-isomerase | ||||
| UniProt ID | |||||
| Poor Binders of This Target (in total, 34 binders) | Download | Top | |||
|---|---|---|---|---|---|
| Compound Name |
1-N-(2-Ethylphenyl)-2-N-(3-phenylpropyl)pyrrolidine-1,2-dicarboxamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL34559; BDBM50113132; Pyrrolidine-1,2-dicarboxylic acid 1-[(2-ethyl-phenyl)-amide] 2-[(3-phenyl-propyl)-amide]
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| Activity |
Ki ~ 50000 nM
|
[1] | |||
| Compound Name |
Pyrrolidine-1,2-dicarboxylic acid 2-benzylamide 1-[(2-ethyl-phenyl)-amide]
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL33597; BDBM50113112
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| Activity |
Ki ~ 50000 nM
|
[1] | |||
| Compound Name |
(1S,9R)-13-{2-[(1S,2R,5R)-1-Hydroxy-5-(2-methoxy-1-methyl-ethyl)-2-methyl-cyclohexyl]-2-oxo-acetyl}-5-hydroxymethyl-3,7-dioxa-13-aza-bicyclo[7.3.1]tridecane-2,8-dione
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL337958; BDBM50288766
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| Activity |
Ki ~ 50000 nM
|
[2] | |||
| Compound Name |
1-N,2-N-Dibenzylpyrrolidine-1,2-dicarboxamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL32414; BDBM50113097; Pyrrolidine-1,2-dicarboxylic acid bis-benzylamide
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| Activity |
Ki ~ 50000 nM
|
[1] | |||
| Compound Name |
Pyrrolidine-1,2-dicarboxylic acid 2-butylamide 1-[(2-ethyl-phenyl)-amide]
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL286167; BDBM50113125
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| Activity |
Ki ~ 50000 nM
|
[1] | |||
| Compound Name |
1-(Toluene-4-sulfonyl)-pyrrolidine-2-carboxylic acid benzylamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL32121; Oprea1_319793; BDBM50113134; EU-0001735
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| Activity |
Ki ~ 50000 nM
|
[1] | |||
| Compound Name |
Pyrrolidine-1,2-dicarboxylic acid 2-benzylamide 1-cyclohexylamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL34060; BDBM50113111
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| Activity |
Ki ~ 50000 nM
|
[1] | |||
| Compound Name |
1-Benzenesulfonyl-pyrrolidine-2-carboxylic acid butylamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL33802; BDBM50113141
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|
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| Activity |
Ki ~ 50000 nM
|
[1] | |||
| Compound Name |
Pyrrolidine-1,2-dicarboxylic acid 1-[(2-ethyl-phenyl)-amide] 2-(phenethyl-amide)
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL33553; BDBM50113122
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| Activity |
Ki ~ 50000 nM
|
[1] | |||
| Compound Name |
Pyrrolidine-1,2-dicarboxylic acid 1-benzylamide 2-butylamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL32998; BDBM50113106
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| Activity |
Ki ~ 50000 nM
|
[1] | |||
| Compound Name |
1-(Octane-1-sulfonyl)-pyrrolidine-2-carboxylic acid phenethyl-amide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL33581; BDBM50113110
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| Activity |
Ki ~ 50000 nM
|
[1] | |||
| Compound Name |
CID 57522929
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2058795; BDBM50388299
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|
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| Activity |
IC50 ~ 50000 nM
|
[3] | |||
| Compound Name |
1-Phenylmethanesulfonyl-piperidine-2-carboxylic acid butylamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL284114; BDBM50113114
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|
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| Activity |
Ki ~ 50000 nM
|
[1] | |||
| Compound Name |
Pyrrolidine-1,2-dicarboxylic acid 2-butylamide 1-cyclohexylamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL33095; MLS000121989; HMS2372E15; BDBM50113119; SMR000119402; SR-01000342290; SR-01000342290-1
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| Activity |
Ki ~ 50000 nM
|
[1] | |||
| Compound Name |
CID 57522803
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2058793; SCHEMBL15062392; BDBM50388297
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| Activity |
IC50 ~ 50000 nM
|
[3] | |||
| Compound Name |
Pyrrolidine-1,2-dicarboxylic acid 1-cyclohexylamide 2-(phenethyl-amide)
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL34673; BDBM50113143
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|
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| Activity |
Ki ~ 50000 nM
|
[1] | |||
| Compound Name |
1-(Octane-1-sulfonyl)-pyrrolidine-2-carboxylic acid benzylamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL33634; BDBM50113107
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|
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| Activity |
Ki ~ 50000 nM
|
[1] | |||
| Compound Name |
1-(Toluene-4-sulfonyl)-pyrrolidine-2-carboxylic acid butylamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL34052; BDBM50113140; AKOS008534235
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|
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| Activity |
Ki ~ 50000 nM
|
[1] | |||
| Compound Name |
1-((E)-2-Phenyl-ethenesulfonyl)-pyrrolidine-2-carboxylic acid benzylamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL33555; BDBM50113115
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|
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| Activity |
Ki ~ 50000 nM
|
[1] | |||
| Compound Name |
CID 57522802
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2058792; BDBM50388296
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|
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| Activity |
IC50 ~ 50000 nM
|
[3] | |||
| Compound Name |
(2S)-N-(1-Carbamoylcyclopropyl)-1-[(2S)-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)acetyl]piperidine-2-carboxamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3792925; SCHEMBL16586049; BDBM50162682
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|
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| Activity |
Ki = 50300 nM
|
[4] | |||
| Compound Name |
(2S)-N-[(2S)-1-Amino-1-oxobutan-2-yl]-1-[(2S)-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)acetyl]piperidine-2-carboxamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3794102; SCHEMBL16585974; BDBM50162657
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|
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| Activity |
Ki = 51900 nM
|
[4] | |||
| Compound Name |
Methyl (4aS,8S)-2-benzyl-1-oxo-4,4a,5,6,7,8-hexahydro-3H-pyrido[1,2-c]pyrimidine-8-carboxylate
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL292166; BDBM50408095; (4abeta)-2-Benzyl-1-oxooctahydro-1H-pyrido[1,2-c]pyrimidine-8beta-carboxylic acid methyl ester
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| Activity |
Ki = 67000 nM
|
[5] | |||
| Compound Name |
4-{4-[(R)-2-((1S,3S,5S)-3,5-Dimethyl-2-oxo-cyclohexyl)-2-hydroxy-ethyl]-2,6-dioxo-piperidin-1-ylmethyl}-benzonitrile
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL334322; BDBM50080532
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|
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| Activity |
IC50 = 68200 nM
|
[6] | |||
| Compound Name |
(2S)-N-[(2R)-1-Amino-1-oxopropan-2-yl]-1-[(2S)-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)acetyl]piperidine-2-carboxamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3793250; SCHEMBL16586033; BDBM50162656
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|
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| Activity |
Ki = 71100 nM
|
[4] | |||
| Compound Name |
Methyl (4aS,8S)-1-oxo-2-propyl-4,4a,5,6,7,8-hexahydro-3H-pyrido[1,2-c]pyrimidine-8-carboxylate
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL299276; BDBM50408108; (4abeta)-2-Propyl-1-oxooctahydro-1H-pyrido[1,2-c]pyrimidine-8beta-carboxylic acid methyl ester
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|
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| Activity |
Ki = 83000 nM
|
[5] | |||
| Compound Name |
2-(3,4-Dimethoxyphenoxy)ethyl (2S)-1-(3,5-dichlorophenyl)sulfonylpiperidine-2-carboxylate
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2058790; BDBM50388294
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|
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| Activity |
IC50 ~ 100000 nM
|
[3] | |||
| Compound Name |
Timcodar
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Investigative | Compound Info | ||
| Synonyms |
vx-853; UNII-U141W322WZ; U141W322WZ; VX853; Timcodar [INN]; VX 853; SCHEMBL3673444; CHEMBL2059028; GTPL10868; BDBM50388313; DB12761; Q27290544
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| Activity |
IC50 ~ 100000 nM
|
[7] | |||
| Compound Name |
2-[3-[(1R)-1-[[(2S)-1-(3,5-Dichloro-4-hydroxyphenyl)sulfonylpiperidine-2-carbonyl]amino]-3-(3,4-dimethoxyphenyl)propyl]phenoxy]acetic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2058798; BDBM50388268
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|
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| Activity |
IC50 ~ 100000 nM
|
[3] | |||
| Compound Name |
(2S)-N-[(2S)-1-Amino-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-1-[(2S)-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)acetyl]piperidine-2-carboxamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3794214; SCHEMBL16586078; BDBM50162680
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|
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| Activity |
Ki = 101000 nM
|
[4] | |||
| Compound Name |
1-Benzyl-4-[(R)-2-((1S,3S,5S)-3,5-dimethyl-2-oxo-cyclohexyl)-2-hydroxy-ethyl]-piperidine-2,6-dione
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL120492; BDBM50080535; 1-Benzyl-4-[(R)-2-hydroxy-2-[(1S)-2-oxo-3beta,5alpha-dimethylcyclohexyl]ethyl]piperidine-2,6-dione
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| Activity |
IC50 = 116700 nM
|
[6] | |||
| Compound Name |
(2R)-2-[[(2S)-1-[(2S)-2-Cyclohexyl-2-(3,4,5-trimethoxyphenyl)acetyl]piperidine-2-carbonyl]amino]pentanediamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3794273; SCHEMBL16585949; BDBM50162679
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|
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| Activity |
Ki = 120000 nM
|
[4] | |||
| Compound Name |
4-[(R)-2-((1S,3S,5S)-3,5-Dimethyl-2-oxo-cyclohexyl)-2-hydroxy-ethyl]-1-methyl-piperidine-2,6-dione
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL120385; BDBM50080527; 1-Methyl-4-[(R)-2-hydroxy-2-[(1S)-2-oxo-3beta,5alpha-dimethylcyclohexyl]ethyl]piperidine-2,6-dione
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| Activity |
IC50 = 124100 nM
|
[6] | |||
| Compound Name |
Pipecolate deriv., 12b
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL565481; BDBM34005
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| Activity |
Ki = 137000 nM
|
[8] | |||
| Click to Show/Hide the Information of All Poor Binders | |||||
| Non Binders of This Target (in total, 5 non binders) | Download | Top | |||
|---|---|---|---|---|---|
| Compound Name |
Cycloheximide acetate
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Investigative | Compound Info | ||
| Synonyms |
UNII-V186SR50A8; CHEMBL120252; V186SR50A8; BDBM50080529; ZINC13557415; 2,6-Piperidinedione, 4-(2-(acetyloxy)-2-(3,5-dimethyl-2-oxocyclohexyl)ethyl)-; Q27291403
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| Activity |
IC50 > 200000 nM
|
[6] | |||
| Compound Name |
{4-[(R)-2-(Adamantan-1-ylcarbamoyloxy)-2-((1S,3S,5S)-3,5-dimethyl-2-oxo-cyclohexyl)-ethyl]-2,6-dioxo-piperidin-1-yl}-acetic acid ethyl ester
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL331865; BDBM50080533
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| Activity |
IC50 > 200000 nM
|
[6] | |||
| Compound Name |
(S)-1-[2-((1S,2R,5R)-1-Hydroxy-5-isopropyl-2-methyl-cyclohexyl)-2-oxo-acetyl]-piperidine-2-carboxylic acid benzyl ester
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL316255; BDBM50288769
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|
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| Activity |
Ki = 210000 nM
|
[2] | |||
| Compound Name |
(2S)-N-(2-Amino-2-oxoethyl)-1-[(2S)-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)acetyl]piperidine-2-carboxamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3793184; SCHEMBL16586248; BDBM50162502
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|
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| Activity |
Ki > 300000 nM
|
[4] | |||
| Compound Name |
(2S)-N-[(2S)-1-Amino-4-hydroxy-1-oxobutan-2-yl]-1-[(2S)-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)acetyl]piperidine-2-carboxamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3794045; SCHEMBL16586133; BDBM50162676
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|
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| Activity |
Ki = 317000 nM
|
[4] | |||
| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Solid-phase synthesis of FKBP12 inhibitors: N-sulfonyl and N-carbamoylprolyl/pipecolyl amides. Bioorg Med Chem Lett. 2002 May 20;12(10):1429-33. | ||||
| REF 2 | Design, synthesis and X-ray crystallographic studies of [7.3.1] and [8.3.1] macrocyclic FKBP-12 ligands. Bioorg Med Chem Lett. 1996 Feb 20;6(4):385-90. | ||||
| REF 3 | Exploration of pipecolate sulfonamides as binders of the FK506-binding proteins 51 and 52. J Med Chem. 2012 May 10;55(9):4123-31. | ||||
| REF 4 | Rapid, Structure-Based Exploration of Pipecolic Acid Amides as Novel Selective Antagonists of the FK506-Binding Protein 51. J Med Chem. 2016 Mar 24;59(6):2410-22. | ||||
| REF 5 | Structure-based design of novel, urea-containing FKBP12 inhibitors. J Med Chem. 1996 Apr 26;39(9):1872-84. | ||||
| REF 6 | Synthesis and cytotoxic evaluation of cycloheximide derivatives as potential inhibitors of FKBP12 with neuroregenerative properties. J Med Chem. 1999 Sep 9;42(18):3615-22. | ||||
| REF 7 | Evaluation of synthetic FK506 analogues as ligands for the FK506-binding proteins 51 and 52. J Med Chem. 2012 May 10;55(9):4114-22. | ||||
| REF 8 | Structure-based design of novel human Pin1 inhibitors (I). Bioorg Med Chem Lett. 2009 Oct 1;19(19):5613-6. | ||||
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