Target Poor or Non Binder(s) Information
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T60526 | Target Info | |||
| Target Name | L-selectin (SELL) | ||||
| Synonyms |
TQ1; SELL; Lymph node homing receptor; Leukocyte-endothelial cell adhesion molecule 1; Leukocyte surface antigen Leu-8; Leukocyte adhesion molecule-1; LECAM1; LAM-1; Gp90-MEL; CD62L
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| Target Type | Clinical trial Target | ||||
| Gene Name | SELL | ||||
| UniProt ID | |||||
| Poor Binders of This Target (in total, 10 binders) | Download | Top | |||
|---|---|---|---|---|---|
| Compound Name |
4-Methyl-3-[2-(3,4,5-trihydroxy-phenyl)-acetylamino]-benzoic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL221161; SCHEMBL10316393; BDBM50205402
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| Activity |
IC50 = 64500 nM
|
[1] | |||
| Compound Name |
{2''-[3-(3,4,5-Trihydroxy-phenyl)-propionylamino]-biphenyl-3-yl}-acetic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL426378; SCHEMBL14015943; BDBM50205398
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| Activity |
IC50 = 64900 nM
|
[1] | |||
| Compound Name |
(5-{2-[3-(2,3,4-Trihydroxy-phenyl)-propionylamino]-phenyl}-thiophen-2-yl)-acetic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL387380; SCHEMBL14015950; BDBM50205378
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| Activity |
IC50 = 85800 nM
|
[1] | |||
| Compound Name |
(5-{2-[4-(3,4,5-Trihydroxy-phenyl)-butyrylamino]-phenyl}-thiophen-2-yl)-acetic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL220208; BDBM50205390
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| Activity |
IC50 = 105100 nM
|
[1] | |||
| Compound Name |
1-[4-Methoxy-3-[(2R,3S,4S,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]phenyl]cyclohexane-1-carboxylic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2112520; BDBM50403680
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| Activity |
IC50 = 106000 nM
|
[2] | |||
| Compound Name |
2-Methyl-3-[3-(3,4,5-trihydroxy-phenyl)-propionylamino]-benzoic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL220721; SCHEMBL14015960; BDBM50205400
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| Activity |
IC50 = 109000 nM
|
[1] | |||
| Compound Name |
[3,4,5-Trimethoxy-2-(3,4,5-trihydroxy-6-methyl-tetrahydro-pyran-2-yl)-phenyl]-acetic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL113316; BDBM50072622
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| Activity |
IC50 = 114000 nM
|
[2] | |||
| Compound Name |
2-[3-[2-[4-[(3,4,5-Trihydroxybenzoyl)amino]butanoylamino]phenyl]phenyl]acetic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL219991; BDBM50205379; {2''-[4-(3,4,5-trihydroxy-benzoylamino)-butyrylamino]-biphenyl-3-yl}-acetic acid
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|
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| Activity |
IC50 = 154400 nM
|
[1] | |||
| Compound Name |
4-[4-Methoxy-3-(3,4,5-trihydroxy-6-methyl-tetrahydro-pyran-2-yl)-phenyl]-butyric acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL112304; BDBM50072617
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| Activity |
IC50 = 170000 nM
|
[2] | |||
| Compound Name |
4-[(R)-2-Hexadecanoylamino-3-(3,4,5-trihydroxy-6-methyl-tetrahydro-pyran-2-yloxy)-propionylamino]-4-methylcarbamoyl-butyric acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL135336; BDBM50067550
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||||
| Activity |
IC50 = 200000 nM
|
[3] | |||
| Click to Show/Hide the Information of All Poor Binders | |||||
| Non Binders of This Target (in total, 30 non binders) | Download | Top | |||
|---|---|---|---|---|---|
| Compound Name |
Bimosiamose
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|
Phase 2a | Compound Info | ||
| Synonyms |
TBC 1269; TBC-1269
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| Activity |
IC50 > 500000 nM
|
[1] | |||
| Compound Name |
5-(2-{3,5-Dihydroxy-2-hydroxymethyl-6-[2-hydroxymethyl-4-(2,3,4-trihydroxy-5-methoxy-hexyloxy)-tetrahydro-pyran-3-yloxy]-tetrahydro-pyran-4-yloxy}-acetylamino)-2,4-dihydroxy-6-(1,2,3-trihydroxy-propyl)-tetrahydro-pyran-2-carboxylic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL175649; BDBM50050456
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|
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| Activity |
IC50 = 220000 nM
|
[4] | |||
| Compound Name |
(5-{2-[(3',4',5'-Trihydroxy-biphenyl-2-carbonyl)-amino]-phenyl}-thiophen-2-yl)-acetic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL221273; SCHEMBL4665168; BDBM50205399; 2-[5-[2-[[2-(3,4,5-trihydroxyphenyl)benzoyl]amino]phenyl]thiophen-2-yl]acetic acid; (5-{2-[(3'',4'',5''-trihydroxy-biphenyl-2-carbonyl)-amino]-phenyl}-thiophen-2-yl)-acetic acid
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|
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| Activity |
IC50 = 244000 nM
|
[1] | |||
| Compound Name |
2-[3-[5-[5-[3-[3-(Carboxymethyl)phenyl]-4-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]pentyl]-2-[(2R,3S,4R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]phenyl]acetic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2303890; BDBM50422284
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|
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| Activity |
IC50 = 300000 nM
|
[5] | |||
| Compound Name |
Sodium;[(2S,3R,4R,5R,6R)-2,4,5-trihydroxy-6-[(2R,3S,4R)-2-(hydroxymethyl)-4-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxyoxan-3-yl] hydrogen phosphate
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL175724
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|
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| Activity |
IC50 = 420000 nM
|
[4] | |||
| Compound Name |
(S)-4-Methylcarbamoyl-4-[(R)-2-(2-tetradecyl-hexadecanoylamino)-3-(3,4,5-trihydroxy-6-methyl-tetrahydro-pyran-2-yloxy)-propionylamino]-butyric acid methyl ester
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL337229; BDBM50067556
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|
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| Activity |
IC50 > 500000 nM
|
[3] | |||
| Compound Name |
{3-[2-(3,4,5-Trihydroxy-phenyl)-acetylamino]-phenyl}-acetic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL220255; SCHEMBL14015941; BDBM50205385
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|
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| Activity |
IC50 > 500000 nM
|
[1] | |||
| Compound Name |
2-[3-[5-[[3,5-Bis[[3-[3-(carboxymethyl)phenyl]-4-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl]phenyl]methyl]-2-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]phenyl]acetic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2303876; BDBM50422288
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|
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| Activity |
IC50 = 500000 nM
|
[5] | |||
| Compound Name |
2-Methyl-3-[2-(3,4,5-trihydroxy-phenyl)-acetylamino]-benzoic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL220046; BDBM50205387
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|
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| Activity |
IC50 > 500000 nM
|
[1] | |||
| Compound Name |
2-[3-[2-[(2R,3S,4S,5S,6R)-3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]phenyl]acetic Acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL375429; SCHEMBL7029910; ZINC3823372; BDBM50205388; [3-[2-(alpha-D-Mannopyranosyloxy)phenyl]phenyl]acetic acid
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|
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| Activity |
IC50 > 500000 nM
|
[1] | |||
| Compound Name |
2-[3-[5-[6-[3-[3-(Carboxymethyl)phenyl]-4-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]hexyl]-2-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]phenyl]acetic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2303881; BDBM50422287
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|
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| Activity |
IC50 = 560000 nM
|
[5] | |||
| Compound Name |
2-[3-[2-[(2R,3S,4R,5S,6R)-3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-[6-[4-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]hexyl]phenyl]phenyl]acetic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2303879; BDBM50422286
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|
||||
| Activity |
IC50 = 600000 nM
|
[5] | |||
| Compound Name |
2-[3-[2-[(2R,3S,4R,5S,6R)-3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-[2-[3-[2-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]phenyl]ethyl]phenyl]phenyl]acetic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2303893; BDBM50422280
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|
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| Activity |
IC50 = 750000 nM
|
[5] | |||
| Compound Name |
2-[3-[5-[7-[3-[3-(Carboxymethyl)phenyl]-4-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]heptyl]-2-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]phenyl]acetic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2303886; BDBM50422285
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|
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| Activity |
IC50 = 750000 nM
|
[5] | |||
| Compound Name |
(2S,4R,5R,6R)-5-Acetamido-2-[(2S,3S,4S,5S,6S)-2-[(2S,3S,4R,5S)-5-acetamido-6-hydroxy-2-(hydroxymethyl)-4-[(2S,3S,4S,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3215390
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|
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| Activity |
IC50 > 1000000 nM
|
[6] | |||
| Compound Name |
Sodium;[(2S,3S,4S,5S,6S)-2-[(2S,3R,4R,5S,6R)-5,6-dihydroxy-2-(hydroxymethyl)-4-[(2S,3S,4S,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl] sulfate
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3215391
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|
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| Activity |
IC50 > 1000000 nM
|
[6] | |||
| Compound Name |
5-Acetylamino-2-{3,5-dihydroxy-2-hydroxymethyl-6-[2-hydroxymethyl-4-(3,4,5-trihydroxy-6-methyl-tetrahydro-pyran-2-yloxy)-tetrahydro-pyran-3-yloxy]-tetrahydro-pyran-4-yloxy}-4-hydroxy-6-((1R,2R)-1,2,3-trihydroxy-propyl)-tetrahydro-pyran-2-carboxylic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL367520; BDBM50050458
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| Activity |
IC50 > 1000000 nM
|
[4] | |||
| Compound Name |
Sialyl-Lewis X
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Investigative | Compound Info | ||
| Synonyms |
3'-Sialyl-Lewis X; sialyl LewisX; Sialyl lewis-x; Sialyl Lex tri; 3'-Sialyl-Lewis-X tetrasaccharide; Sialyl LeX; 3'-SIALYL LEWIS X; 3'-SLeX; SSEA 1; UNII-0PS35WG8U3; 0PS35WG8U3; a-NeuNAc-(2>3)-b-D-Gal-(1>4)(a-L-Fuc-[1>3])-D-GlcNAc; 3-Sialyl Lewis X; SCHEMBL346849; CHEMBL375586; DTXSID60913167; BDBM50450369; ZINC96129530; HY-W020790; CS-0031944; J3.549.354I; Q3959958; W-204175; alpha-NeuNAc-(2>3)-beta-delta-Gal-(1>4)(a-L-Fuc-[1>3])-delta-GlcNAc
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| Activity |
IC50 > 1000000 nM
|
[7] | |||
| Compound Name |
Sodium;3,5-dihydroxy-2-[5-hydroxy-2-(hydroxymethyl)-4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-4-sulfonate
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL60263
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|
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| Activity |
IC50 > 1000000 nM
|
[8] | |||
| Compound Name |
Sodium;[(2S,3R,4R,5R,6R)-2,4,5-trihydroxy-6-[(2R,3S,4R)-2-(hydroxymethyl)-4-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxyoxan-3-yl] sulfate
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL177316
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| Activity |
IC50 > 1000000 nM
|
[4] | |||
| Compound Name |
Sodium;[(2S,3R,4R,5R,6R)-2,4,5-trihydroxy-6-[(2R,3R,4R,5S)-5-hydroxy-2-(hydroxymethyl)-4-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxyoxan-3-yl] sulfate
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL362419
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|
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| Activity |
IC50 > 1000000 nM
|
[4] | |||
| Compound Name |
2-[3-[5-[9-[3-[3-(Carboxymethyl)phenyl]-4-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]nonyl]-2-[(2R,3S,4R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]phenyl]acetic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2303877; BDBM50422290
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|
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| Activity |
IC50 = 1000000 nM
|
[5] | |||
| Compound Name |
Sodium;[(2S,3R,4R,5R,6R)-6-[(2R,3S,4R,5S)-5-acetamido-2-(hydroxymethyl)-4-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-2,4,5-trihydroxyoxan-3-yl] sulfate
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL177789
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|
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| Activity |
IC50 > 1000000 nM
|
[4] | |||
| Compound Name |
2-[3-[4-[6-[3-[3-(Carboxymethoxy)phenyl]-4-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]hexyl]-2-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]phenoxy]acetic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2303882; BDBM50422291
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|
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| Activity |
IC50 = 1400000 nM
|
[5] | |||
| Compound Name |
2-[3-[5-[2-[[3,5-Bis[[2-[3-[2-(carboxymethyl)phenyl]-4-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-2-oxoethyl]sulfanylmethyl]phenyl]methylsulfanyl]acetyl]-2-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]phenyl]acetic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2303867; BDBM50422281
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|
||||
| Activity |
IC50 = 2000000 nM
|
[5] | |||
| Compound Name |
2-[3-[5-[6-[3-[2-(Carboxymethyl)phenyl]-4-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-6-oxohexanoyl]-2-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]phenyl]acetic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2303868; BDBM50422282
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|
||||
| Activity |
IC50 = 3000000 nM
|
[5] | |||
| Compound Name |
2-[3-[5-[[3-[[3-[3-(Carboxymethyl)phenyl]-4-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl]phenyl]methyl]-2-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]phenyl]acetic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2303889; BDBM50422294
Click to Show/Hide
|
||||
| Activity |
IC50 = 3000000 nM
|
[5] | |||
| Compound Name |
2-[3-[5-[[4-[[3-[3-(Carboxymethyl)phenyl]-4-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl]phenyl]methyl]-2-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]phenyl]acetic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2303888; BDBM50422295
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|
||||
| Activity |
IC50 = 3000000 nM
|
[5] | |||
| Compound Name |
2-[3-[2-[(2R,3S,4R,5S,6R)-3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]phenyl]acetic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2303887; BDBM50422131
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|
||||
| Activity |
IC50 = 4100000 nM
|
[5] | |||
| Compound Name |
2-[3-[5-[3-[3-[3-[3-[3-(Carboxymethyl)phenyl]-4-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]propylsulfanyl]propylsulfanyl]propyl]-2-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]phenyl]acetic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2303872; BDBM50422279
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|
||||
| Activity |
IC50 = 5000000 nM
|
[5] | |||
| Click to Show/Hide the Information of All Non Binders | |||||
| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Rational design of novel, potent small molecule pan-selectin antagonists. J Med Chem. 2007 Mar 22;50(6):1101-15. | ||||
| REF 2 | Aryl C-glycosides: physiologically stable glycomimetics of sialyl Lewis X. Bioorg Med Chem Lett. 1998 Dec 1;8(23):3307-10. | ||||
| REF 3 | Studies on selectin blockers. 7. Structure-activity relationships of sialyl Lewis X mimetics based on modified Ser-Glu dipeptides. J Med Chem. 1998 Oct 22;41(22):4279-87. | ||||
| REF 4 | Studies on selectin blocker. 1. Structure-activity relationships of sialyl Lewis X analogs. J Med Chem. 1996 Mar 15;39(6):1339-43. | ||||
| REF 5 | Novel synthetic inhibitors of selectin-mediated cell adhesion: synthesis of 1,6-bis[3-(3-carboxymethylphenyl)-4-(2-alpha-D- mannopyranosyloxy)phenyl]hexane (TBC1269). J Med Chem. 1998 Mar 26;41(7):1099-111. | ||||
| REF 6 | Selectin-ligand interactions revealed by molecular dynamics simulation in solution. J Med Chem. 1997 Jan 31;40(3):362-9. | ||||
| REF 7 | A solid-phase synthesis for beta-turn mimetics of sialyl Lewis X. Bioorg Med Chem Lett. 2000 Aug 21;10(16):1827-30. | ||||
| REF 8 | Studies on selectin blockers. 2. Novel selectin blocker as potential therapeutics for inflammatory disorders. J Med Chem. 1996 May 10;39(10):2055-9. | ||||
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