Study : T0699
(models@predictioncenter.org)
Best Complexes after Comparative Docking:
Download: Best Ligands after Comparative Docking
Ligand Type Selected for this Study : Small Molecules; Peptides; Sugar; Nucleic Acid; Ions.
Number of Ligands Found in Study: 137
(Click on Model to display complexes with selected ligand(s))
based on
1INI
Atome Sc:
89.72
Type:
No conserved side chain are recalculated after transfer of ligand
Ligand
Origin
Active Site
pKd (Avg)
Cofactor
Transfer
Information
CDM_E_5
1INI
C1_S1
-6.4
-
Raw
4-DIPHOSPHOCYTIDYL-2-C-METHYL-D-ERYTHRITOL
CDM_A_3
3Q80
C1_S1
-6.0
-
Raw
4-DIPHOSPHOCYTIDYL-2-C-METHYL-D-ERYTHRITOL
C5P_A_3
2XWM
C1_S1
-4.5
-
Raw
CYTIDINE-5'-MONOPHOSPHATE
CTP_A_4
2XWL
C1_S1
-4.0
-
Raw
CYTIDINE-5'-TRIPHOSPHATE
CTP_A_4
3Q7U
C1_S1
-3.9
-
Raw
CYTIDINE-5'-TRIPHOSPHATE
CTP_G_7
1I52
C1_S1
-3.8
-
Raw
CYTIDINE-5'-TRIPHOSPHATE
CDF_A_3
2VSI
C1_S1
-3.7
-
Raw
4-AMINO-1-{5-O-[(R)-HYDROXY(PHOSPHONOOXY)PHOSPHORYL]-ALPHA-D-ARABINOFURANOSYL}PYRIMIDIN-2(1H)-ONE
CTP_A_5
1VPA
C1_S1
-3.6
-
Raw
CYTIDINE-5'-TRIPHOSPHATE
CTP_A_4
2Y6P
C1_S1
-3.3
-
Raw
CYTIDINE-5'-TRIPHOSPHATE
C5P_A_13
1W77
C1_S1
-3.1
-
Raw
CYTIDINE-5'-MONOPHOSPHATE
based on
3Q80
Atome Sc:
88.71
Type:
No conserved side chain are recalculated after transfer of ligand
Ligand
Origin
Active Site
pKd (Avg)
Cofactor
Transfer
Information
CDM_A_3
3Q80
C1_S1
-6.2
-
Raw
4-DIPHOSPHOCYTIDYL-2-C-METHYL-D-ERYTHRITOL
CDM_E_5
1INI
C1_S1
-5.6
-
Raw
4-DIPHOSPHOCYTIDYL-2-C-METHYL-D-ERYTHRITOL
C5P_A_3
2XWM
C1_S1
-4.3
-
Raw
CYTIDINE-5'-MONOPHOSPHATE
CTP_A_4
2XWL
C1_S1
-3.7
-
Raw
CYTIDINE-5'-TRIPHOSPHATE
CTP_A_5
1VPA
C1_S1
-3.5
-
Raw
CYTIDINE-5'-TRIPHOSPHATE
CTP_A_4
3Q7U
C1_S1
-3.5
-
Raw
CYTIDINE-5'-TRIPHOSPHATE
CTP_A_4
2Y6P
C1_S1
-3.5
-
Raw
CYTIDINE-5'-TRIPHOSPHATE
CDF_A_3
2VSI
C1_S1
-3.2
-
Raw
4-AMINO-1-{5-O-[(R)-HYDROXY(PHOSPHONOOXY)PHOSPHORYL]-ALPHA-D-ARABINOFURANOSYL}PYRIMIDIN-2(1H)-ONE
based on
2YC5
Atome Sc:
90.90
Type:
No conserved side chain are recalculated after transfer of ligand
Ligand
Origin
Active Site
pKd (Avg)
Cofactor
Transfer
Information
MW5_A_2
2YC3
C1_S1
-7.1
-
Raw
6-BENZYL-5-CHLORO[1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-7(3H)-ONE
CDF_A_3
2VSI
C1_S1
-3.5
-
Raw
4-AMINO-1-{5-O-[(R)-HYDROXY(PHOSPHONOOXY)PHOSPHORYL]-ALPHA-D-ARABINOFURANOSYL}PYRIMIDIN-2(1H)-ONE
CTP_A_4
2Y6P
C1_S1
-3.1
-
Raw
CYTIDINE-5'-TRIPHOSPHATE
C5P_A_3
2XWM
C1_S1
-3.1
-
Raw
CYTIDINE-5'-MONOPHOSPHATE
C5P_A_13
1W77
C1_S1
-3.1
-
Raw
CYTIDINE-5'-MONOPHOSPHATE
C_A_13
1W55
C1_S1
-3.0
-
Raw
CYTIDINE-5'-MONOPHOSPHATE
based on
2YC3
Atome Sc:
94.81
Type:
No conserved side chain are recalculated after transfer of ligand
Ligand
Origin
Active Site
pKd (Avg)
Cofactor
Transfer
Information
MW5_A_2
2YC3
C1_S1
-7.2
-
Raw
6-BENZYL-5-CHLORO[1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-7(3H)-ONE
CDF_A_3
2VSI
C1_S1
-3.6
-
Raw
4-AMINO-1-{5-O-[(R)-HYDROXY(PHOSPHONOOXY)PHOSPHORYL]-ALPHA-D-ARABINOFURANOSYL}PYRIMIDIN-2(1H)-ONE
C_A_13
1W55
C1_S1
-3.1
-
Raw
CYTIDINE-5'-MONOPHOSPHATE
C5P_A_3
2XWM
C1_S1
-3.0
-
Raw
CYTIDINE-5'-MONOPHOSPHATE