Target Poor or Non Binder(s) Information
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T02591 | Target Info | |||
| Target Name | Human immunodeficiency virus Envelope glycoprotein gp160 (HIV env) | ||||
| Synonyms |
Envelope glycoprotein gp160; Env polyprotein
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| Target Type | Clinical trial Target | ||||
| Gene Name | HIV env | ||||
| UniProt ID | |||||
| Poor Binders of This Target (in total, 4 binders) | Download | Top | |||
|---|---|---|---|---|---|
| Compound Name |
N-(4-Chloro-3-fluorophenyl)-N'-{2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]ethyl}ethanediamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL1645266; BDBM50333232; N'-(4-chloro-3-fluoro-phenyl)-N-[2-[(2S,6R)-2,6-dimethyl-1-piperidyl]ethyl]oxamide; N1-(4-chloro-3-fluorophenyl)-N2-(2-((2S,6R)-2,6-dimethylpiperidin-1-yl)ethyl)oxalamide
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| Activity |
IC50 = 83200 nM
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[1] | |||
| Compound Name |
N'-(9-Azaspiro[3.5]nonan-6-yl)-N-(4-chloro-3-fluoro-phenyl)oxamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL1645265; SCHEMBL6783503; BDBM50333233; N-(5-Azaspiro[3.5]non-8-yl)-N'-(4-chloro-3-fluorophenyl)ethanediamide; N1-(4-chloro-3-fluorophenyl)-N2-(5-azaspiro[3.5]nonan-8-yl)oxalamide
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| Activity |
IC50 = 86900 nM
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[1] | |||
| Compound Name |
(2S)-2-[[(2S)-2-[(4S,9S)-9-[(1R)-1-Amino-2-hydroxyethyl]-4-(hydroxymethyl)-3,6,10-trioxo-1,2,5-triazecan-2-yl]-3-phenylpropanoyl]amino]-N-[(2S,3R)-1-(benzylamino)-3-hydroxy-1-oxobutan-2-yl]-4-methylpentanamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL329691; BDBM50281339
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| Activity |
IC50 ~ 100000 nM
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[2] | |||
| Compound Name |
5-[[2-Chloroethyl(ethyl)amino]methyl]-3,3-diphenyl-tetrahydrofuran-2-one
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL98987; CTK6H8329; BDBM50281340; 2(3H)-Furanone, 5-(2-chloroethyl)ethylamino-methyl-dihydro-3,3-diphenyl-; 5-{[(2-Chloro-ethyl)-ethyl-amino]-methyl}-3,3-diphenyl-dihydro-furan-2-one; 5-{[(2-chloroethyl)(ethyl)amino]methyl}-3,3-diphenyldihydrofuran-2(3h)-one
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| Activity |
IC50 = 100000 nM
|
[2] | |||
| Non Binders of This Target (in total, 1 non binders) | Download | Top | |||
|---|---|---|---|---|---|
| Compound Name |
N-(1-(Methoxyoxoacetyl)-D-prolyl)-D-phenylalanine, phenylmethyl ester
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Investigative | Compound Info | ||
| Synonyms |
CPF(DD); UNII-CM571Y8CIB; CM571Y8CIB; CHEMBL318846; N-Carbomethoxycarbonyl-D-prolyl-D-phenylalanine benzyl ester; phenylmethyl esterN-(1-(methoxyoxoacetyl)-D-prolyl)-D-phenylalanine; D-Phenylalanine, N-(1-(methoxyoxoacetyl)-D-prolyl)-, phenylmethyl ester; D-Phenylalanine, N-[1-(methoxyoxoacetyl)-D-prolyl]-, phenylmethyl ester; Carbomethoxycarbonyl-D-Pro-D-Phe benzyl ester; SCHEMBL12648695; DTXSID60926550; ZINC3790465; BDBM50280411; Carbomethoxycarbonyl-D-Pro-D-Phe-OBzl; Q27275532
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| Activity |
IC50 = 250000 nM
|
[3] | |||
| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Design, synthesis and biological evaluation of small molecule inhibitors of CD4-gp120 binding based on virtual screening. Bioorg Med Chem. 2011 Jan 1;19(1):91-101. | ||||
| REF 2 | Structure-directed discovery of an inhibitor of the binding of HIV GP120 to the CD4 receptor. Bioorg Med Chem Lett. 1993 Dec;3(12):2851-6. | ||||
| REF 3 | beta-Lactam peptides as potential inhibitors of the HIV gp120-CD4 interaction. Bioorg Med Chem Lett. 1992;2(4):331-2. | ||||
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