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EBI Databases Structure Databases PDBsum

Ligand clusters for UniProt code P27487

Ligand clusters for P27487: Dipeptidyl peptidase 4 from Homo sapiens

Top 6 (of 13) ligand clusters
Cluster 1.
87 ligand types
89 ligands
 Cluster 2.
10 ligand types
78 ligands
 Cluster 3.
8 ligand types
83 ligands
 Cluster 4.
4 ligand types
72 ligands
 Cluster 5.
4 ligand types
66 ligands
 Cluster 6.
2 ligand types
65 ligands
Representative protein: 1j2eA  
JSmol
 

Structures

PDB   Schematic diagram
1j2eA    
1pfqA    
2bgnA    
3g0bA    
5zidA    
 more ...

 

 Cluster 1 contains 87 ligand types (of which only 20 are listed. Click for all)

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Selection shortcuts: select all/none invert selection.
Ligand Description


 
1. Ligand: LF7 × 2
vildagliptin
2-{[(1r,3s,5r,7s)-3-Hydroxytricyclo[3.3.1.1~3,7~]decan- 1-Yl]amino}-1-{(2s)-2-[(E)-
Iminomethyl]pyrrolidin-1- Yl}ethan-1-O ne
PDB codes: 3w2t(A), 6b1e(A).


 
2. Ligand: 356 × 1
linagliptin
8-[(3r)-3-Aminopiperidin-1-Yl]-7-But-2-Yn-1-Yl-3- Methyl-1-[(4-Methylquinazolin-2-Yl)methyl]-3,7-
Dihydro-1h-Purine-2,6-D ione
PDB code: 2rgu(A).


 
3. Ligand: 715 × 1
sitagliptin
(2r)-4-Oxo-4-[3-(Trifluoromethyl)-5,6-Dihydro[1,2, 4]triazolo[4,3-A]pyrazin-7(8h)-Yl]-1-(2,4,5-
Trifluorophenyl)butan-2-A mine
PDB code: 1x70(A).


 
4. Ligand: T22 × 1
alogliptin
2-({6-[(3r)-3-Aminopiperidin-1-Yl]-3-Methyl-2,4-Dioxo- 3,4-Dihydropyrimidin-1(2h)-
Yl}methyl)benzonitrile
PDB code: 3g0b(A).


 
5. Ligand: 8O3 × 2
(R)-4-(3-Amino-4-(2,4,5-Trifluorophenyl)butanoyl) piperazin-2-One
PDB codes: 5y7h(A),


 
6. Ligand: 01T × 1
[5-(Aminomethyl)-6-(2,2-Dimethylpropyl)-2-Ethyl-4-(4- Methylphenyl)pyridin-3-Yl]acetic acid
PDB code: 3o95(A).


 
7. Ligand: 0WG × 1
7-Amino-6-(Aminomethyl)-5-(2-Bromophenyl)-1,3- Dimethylpyrido[2,3-D]pyrimidine-2,4(1h,3h)-Dione
PDB code: 4g1f(A).


 
8. Ligand: 10T × 1
5-(Aminomethyl)-2-Methyl-4-(4-Methylphenyl)-6-(2- Methylpropyl)pyridine-3-Carboxic acid
PDB code: 3o9v(A).


 
9. Ligand: 13Z × 1
2-[(2-{(2s,4s)-2-[(R)-(5-Tert-Butyl-1,3,4-Oxadiazol-2- Yl)(hydroxy)methyl]-4-Fluoropyrrolidin-1-
Yl}-2- Oxoethyl)amino]-2-Methylpropan-1-Ol
PDB code: 2qky(A).


 
10. Ligand: 1MD × 1
2-[3-(Aminomethyl)-4-(2,4-Dichlorophenyl)-2-Methyl-5- Oxo-5,7-Dihydro-6h-Pyrrolo[3,4-B]pyridin-6-
Yl]-N,N- Dimethylacetamide
PDB code: 4jh0(A).


 
11. Ligand: 1WH × 1
3-(Aminomethyl)-4-(2,4-Dichlorophenyl)-6-(2- Methoxyethyl)-2-Methyl-6,7-Dihydro-5h-Pyrrolo[3,4-
B]pyridin-5-One
PDB code: 4lko(A).


 
12. Ligand: 23Q × 1
(2s,3s,11bs)-3-[3-(Fluoromethyl)phenyl]-9,10-Dimethoxy- 1,3,4,6,7,11b-Hexahydro-2h-Pyrido[2,1-
A]isoquinolin-2- Amine
PDB code: 3kwj(A).


 
13. Ligand: 277 × 1
N-(Trans-4-{(1s,2s)-2-Amino-3-[(3s)-3-Fluoropyrrolidin- 1-Yl]-1-Methyl-3-Oxopropyl}cyclohexyl)-N-
Methylacetamide
PDB code: 2oph(A).


 
14. Ligand: 2KS × 1
1-(Cis-1-Phenyl-4-{[(2e)-3-Phenylprop-2-En-1- Yl]oxy}cyclohexyl)methanamine
PDB code: 4n8d(A).


 
15. Ligand: 2KV × 1
1-[Cis-4-(Aminomethyl)-4-(3-Chlorophenyl) cyclohexyl]piperidin-2-One
PDB code: 4n8e(A).


 
16. Ligand: 2VH × 1
(2r,3s,5r)-5-[2-(Methylsulfonyl)-2,6-Dihydropyrrolo[3, 4-C]pyrazol-5(4h)-Yl]-2-(2,4,5-
Trifluorophenyl) tetrahydro-2h-Pyran-3-Amine
PDB code: 4pnz(A).


 
17. Ligand: 315 × 1
(2s,3s)-4-Cyclopropyl-3-{(3r,5r)-3-[2-Fluoro-4- (Methylsulfonyl)phenyl]-1,2,4-Oxadiazolidin-5-Yl}-
1- [(3s)-3-Fluoropyrrolidin-1-Yl]-1-Oxobutan-2-Amine
PDB code: 3c43(A).


 
18. Ligand: 317 × 1
(2s,3s)-3-{3-[2-Chloro-4-(Methylsulfonyl)phenyl]-1,2,4- Oxadiazol-5-Yl}-1-Cyclopentylidene-4-
Cyclopropyl-1- Fluorobutan-2-Amine
PDB code: 3c45(A).


 
19. Ligand: 34Q × 1
(3r,4r)-4-(Pyrrolidin-1-Ylcarbonyl)-1-(Quinoxalin-2- Ylcarbonyl)pyrrolidin-3-Amine
PDB code: 2rip(A).


 
20. Ligand: 361 × 1
(7r,8r)-8-(2,4,5-Trifluorophenyl)-6,7,8,9- Tetrahydroimidazo[1,2-A:4,5-C']Dipyridin-7-Amine
PDB code: 3hac(A).

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 Cluster 2 contains 10 ligand types

Selection shortcuts: select all/none invert selection.
Ligand Description


 
1. Ligand: NAG × 42
n-acetylglucosamine
2-Acetamido-2-Deoxy-Beta-D-Glucopyranose
PDB codes: 1j2e(A), 1nu6(A), 1nu8(A), 1pfq(A), 1r9m(A), 1r9n(A), 1rwq(A), 2ajl(I), 2bub(A), 2jid(A), 2onc(A), 2rgu(A), 3bjm(A), 3ccb(A), 3ccc(A), 3eio(A), 3g0b(A), 3g0c(A), 3g0d(A), 3g0g(A), 3h0c(A), 3kwf(A), 3kwj(A), 3nox(A), 3oc0(A), 3q0t(A), 3sww(A), 3sx4(A), 3vjk(A), 3vjl(A), 3vjm(A), 3wqh(A), 4g1f(A), 4l72(A), 4pnz(A), 5ism(A), 5kby(A), 5t4b(A), 5t4e(A), 5t4h(A), 6b1e(A), 6b1o(A).


 
2. Ligand: NAG-NDG × 12
NAG=2-Acetamido-2-Deoxy-Beta-D-Glucopyranose, NDG=2-Acetamido-2-Deoxy-Alpha-D-Glucopyranose.
PDB codes: 1x70(A), 2hha(A), 2iit(A), 2oph(A), 2qoe(A), 2qt9(A), 2qtb(A), 3c43(A), 3c45(A), 3d4l(A), 3hab(A), 3hac(A).


 
3. Ligand: NAG-NAG × 11
NAG=2-Acetamido-2-Deoxy-Beta-D-Glucopyranose.
PDB codes: 2fjp(A), 2iiv(A), 2p8s(A), 2qjr(A), 3f8s(A), 3o95(A), 3qbj(A), 4kr0(A), 4qzv(A), 5i7u(A), 5t4f(A).


 
4. Ligand: NAG-NAG-FUC × 4
NAG=2-Acetamido-2-Deoxy-Beta-D-Glucopyranose, FUC=Alpha-L-Fucopyranose.
PDB codes: 1tk3(A), 1u8e(A), 1w1i(A), 2bgr(A).


 
5. Ligand: NAG-NAG-MAN-MAN-MAN × 3
NAG=2-Acetamido-2-Deoxy-Beta-D-Glucopyranose, MAN=Alpha-D-Mannopyranose.
PDB codes: 4a5s(A), 4n8d(A), 4n8e(A).


 
6. Ligand: NAG-NDG-FUC × 2
NAG=2-Acetamido-2-Deoxy-Beta-D-Glucopyranose, NDG=2-Acetamido-2-Deoxy-Alpha-D-Glucopyranose, FUC=Alpha-L-Fucopyranose.
PDB codes: 1n1m(A), 1tkr(A).


 
7. Ligand: NAG-FUC × 1
NAG=2-Acetamido-2-Deoxy-Beta-D-Glucopyranose, FUC=Alpha-L-Fucopyranose.
PDB code: 1wcy(A).


 
8. Ligand: NAG-FUL × 1
NAG=2-Acetamido-2-Deoxy-Beta-D-Glucopyranose, FUL=Beta-L-Fucopyranose.
PDB code: 3w2t(A).


 
9. Ligand: NAG-NAG-FUL × 1
NAG=2-Acetamido-2-Deoxy-Beta-D-Glucopyranose, FUL=Beta-L-Fucopyranose.
PDB code: 2bgn(A).


 
10. Ligand: NAG-NAG-MAN-MAN × 1
NAG=2-Acetamido-2-Deoxy-Beta-D-Glucopyranose, MAN=Alpha-D-Mannopyranose.
PDB code: 2rip(A).

 

 Cluster 3 contains 8 ligand types

Selection shortcuts: select all/none invert selection.
Ligand Description


 
1. Ligand: NAG × 31
n-acetylglucosamine
2-Acetamido-2-Deoxy-Beta-D-Glucopyranose
PDB codes: 1j2e(A), 1nu6(A), 1nu8(A), 1pfq(A), 1rwq(A), 2ajl(I), 2bub(A), 2jid(A), 2rgu(A), 2rip(A), 3bjm(A), 3f8s(A), 3h0c(A), 3kwf(A), 3kwj(A), 3oc0(A), 3opm(A), 3vjl(A), 3vjm(A), 3w2t(A), 3wqh(A), 4a5s(A), 4n8d(A), 4n8e(A), 5j3j(A), 5t4b(A), 5t4e(A), 5t4h(A), 5zid(A), 6b1e(A).


 
2. Ligand: NAG-NAG × 26
NAG=2-Acetamido-2-Deoxy-Beta-D-Glucopyranose.
PDB codes: 1r9n(A), 1wcy(A), 2fjp(A), 2iiv(A), 2onc(A), 2p8s(A), 3ccb(A), 3ccc(A), 3g0b(A), 3g0c(A), 3g0d(A), 3g0g(A), 3nox(A), 3o95(A), 3o9v(A), 3q0t(A), 3sww(A), 3sx4(A), 3vjk(A), 4g1f(A), 4pnz(A), 5i7u(A), 5ism(A), 5kby(A), 5t4f(A), 6b1o(A).


 
3. Ligand: NAG-NDG × 12
NAG=2-Acetamido-2-Deoxy-Beta-D-Glucopyranose, NDG=2-Acetamido-2-Deoxy-Alpha-D-Glucopyranose.
PDB codes: 1x70(A), 2hha(A), 2iit(A), 2oph(A), 2qoe(A), 2qt9(A), 2qtb(A), 3c43(A), 3c45(A), 3d4l(A), 3hab(A), 3hac(A).


 
4. Ligand: NAG-NAG-BMA × 4
NAG=2-Acetamido-2-Deoxy-Beta-D-Glucopyranose, BMA=Beta-D-Mannopyranose.
PDB codes: 2bgr(A), 4kr0(A), 4l72(A), 4qzv(A).


 
5. Ligand: NAG-NDG-MAN × 4
NAG=2-Acetamido-2-Deoxy-Beta-D-Glucopyranose, NDG=2-Acetamido-2-Deoxy-Alpha-D-Glucopyranose, MAN=Alpha-D-Mannopyranose.
PDB codes: 1n1m(A), 1tk3(A), 1tkr(A), 1u8e(A).


 
6. Ligand: NAG-NAG-BMA-MAN × 3
NAG=2-Acetamido-2-Deoxy-Beta-D-Glucopyranose, BMA=Beta-D-Mannopyranose, MAN=Alpha-D-Mannopyranose.
PDB codes: 1w1i(A), 2bgn(A), 3qbj(A).


 
7. Ligand: NAG-NAG-MAN × 2
NAG=2-Acetamido-2-Deoxy-Beta-D-Glucopyranose, MAN=Alpha-D-Mannopyranose.
PDB codes: 1r9m(A), 3eio(A).


 
8. Ligand: NAG-NAG-LGU-MAN-LGU × 1
NAG=2-Acetamido-2-Deoxy-Beta-D-Glucopyranose, LGU=Alpha-L-Gulopyranuronic acid, MAN=Alpha-D-Mannopyranose.
PDB code: 2qjr(A).

 

 Cluster 4 contains 4 ligand types

Selection shortcuts: select all/none invert selection.
Ligand Description


 
1. Ligand: NAG × 36
n-acetylglucosamine
2-Acetamido-2-Deoxy-Beta-D-Glucopyranose
PDB codes: 1nu6(A), 1nu8(A), 1r9n(A), 1rwq(A), 1wcy(A), 2bgr(A), 2bub(A), 2jid(A), 2onc(A), 2rgu(A), 3bjm(A), 3ccb(A), 3ccc(A), 3eio(A), 3g0c(A), 3g0d(A), 3g0g(A), 3h0c(A), 3nox(A), 3o9v(A), 3oc0(A), 3opm(A), 3q0t(A), 3sww(A), 3sx4(A), 3w2t(A), 3wqh(A), 4a5s(A), 4g1f(A), 4kr0(A), 4l72(A), 4n8d(A), 4n8e(A), 4pnz(A), 4qzv(A), 5ism(A).


 
2. Ligand: NAG-NAG × 29
NAG=2-Acetamido-2-Deoxy-Beta-D-Glucopyranose.
PDB codes: 1r9m(A), 1w1i(A), 1x70(A), 2bgn(A), 2fjp(A), 2hha(A), 2iit(A), 2iiv(A), 2oph(A), 2p8s(A), 2qoe(A), 2qt9(A), 2qtb(A), 2rip(A), 3c43(A), 3c45(A), 3d4l(A), 3g0b(A), 3hab(A), 3hac(A), 3o95(A), 5i7u(A), 5kby(A), 5t4b(A), 5t4e(A), 5t4f(A), 5t4h(A), 6b1e(A), 6b1o(A).


 
3. Ligand: NAG-NAG-FUC × 4
NAG=2-Acetamido-2-Deoxy-Beta-D-Glucopyranose, FUC=Alpha-L-Fucopyranose.
PDB codes: 1n1m(A), 1tk3(A), 1tkr(A), 1u8e(A).


 
4. Ligand: SO4 × 3
Sulfate ion
PDB codes: 4a5s(A), 4n8d(A), 4n8e(A).

 

 Cluster 5 contains 4 ligand types

Selection shortcuts: select all/none invert selection.
Ligand Description


 
1. Ligand: NAG × 24
n-acetylglucosamine
2-Acetamido-2-Deoxy-Beta-D-Glucopyranose
PDB codes: 1j2e(A), 1r9n(A), 1w1i(A), 1wcy(A), 2onc(A), 2rip(A), 3ccb(A), 3g0c(A), 3g0d(A), 3g0g(A), 3o95(A), 3o9v(A), 3opm(A), 3qbj(A), 3vjk(A), 3vjl(A), 3vjm(A), 3wqh(A), 4a5s(A), 4g1f(A), 4l72(A), 4n8d(A), 4n8e(A), 5kby(A).


 
2. Ligand: GOL × 1
glycerin
Glycerol
PDB code: 3w2t(A).


 
3. Ligand: NAG-NAG × 38
NAG=2-Acetamido-2-Deoxy-Beta-D-Glucopyranose.
PDB codes: 1n1m(A), 1r9m(A), 1tk3(A), 1tkr(A), 1u8e(A), 1x70(A), 2bgn(A), 2bgr(A), 2fjp(A), 2hha(A), 2iit(A), 2iiv(A), 2oph(A), 2p8s(A), 2qjr(A), 2qoe(A), 2qt9(A), 2qtb(A), 3c43(A), 3c45(A), 3d4l(A), 3eio(A), 3f8s(A), 3g0b(A), 3hab(A), 3hac(A), 3w2t(A), 4kr0(A), 4pnz(A), 4qzv(A), 5i7u(A), 5ism(A), 5t4b(A), 5t4e(A), 5t4f(A), 5t4h(A), 6b1e(A), 6b1o(A).


 
4. Ligand: SO4 × 3
Sulfate ion
PDB codes: 4a5s(A), 4n8d(A), 4n8e(A).

 

 Cluster 6 contains 2 ligand types

Selection shortcuts: select all/none invert selection.
Ligand Description


 
1. Ligand: NAG × 27
n-acetylglucosamine
2-Acetamido-2-Deoxy-Beta-D-Glucopyranose
PDB codes: 1j2e(A), 1r9m(A), 1r9n(A), 2onc(A), 2qjr(A), 2rip(A), 3ccb(A), 3ccc(A), 3eio(A), 3g0b(A), 3g0c(A), 3g0d(A), 3g0g(A), 3nox(A), 3o95(A), 3opm(A), 3q0t(A), 3qbj(A), 3sww(A), 3sx4(A), 3wqh(A), 4a5s(A), 4g1f(A), 4n8d(A), 4n8e(A), 4qzv(A), 5kby(A).


 
2. Ligand: NAG-NAG × 38
NAG=2-Acetamido-2-Deoxy-Beta-D-Glucopyranose.
PDB codes: 1n1m(A), 1tk3(A), 1tkr(A), 1u8e(A), 1w1i(A), 1wcy(A), 1x70(A), 2bgn(A), 2bgr(A), 2fjp(A), 2hha(A), 2iit(A), 2iiv(A), 2oph(A), 2p8s(A), 2qoe(A), 2qt9(A), 2qtb(A), 3c43(A), 3c45(A), 3d4l(A), 3hab(A), 3hac(A), 3vjk(A), 3vjl(A), 3vjm(A), 3w2t(A), 4kr0(A), 4l72(A), 4pnz(A), 5i7u(A), 5ism(A), 5t4b(A), 5t4e(A), 5t4f(A), 5t4h(A), 6b1e(A), 6b1o(A).

 

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