Study : T0682
(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: 268
(Click on Model to display complexes with selected ligand(s))
based on
2EI4
Atome Sc:
85.15
Type:
No conserved side chain are recalculated after transfer of ligand
Ligand
Origin
Active Site
pKd (Avg)
Cofactor
Transfer
Information
RET_A_10
1E12
C2_S1
-8.1
-
Raw
RETINAL
RET_A_2
3UG9
C2_S1
-8.0
-
Raw
RETINAL
RET_A_2
1XIO
C2_S1
-7.9
-
Raw
RETINAL
RET_A_4
1QKO
C2_S1
-7.9
-
Raw
RETINAL
RET_A_5
3AM6
C2_S1
-7.7
-
Raw
RETINAL
RET_A_2
2WJK
C2_S1
-7.7
-
Raw
RETINAL
RET_A_7
1UCQ
C2_S1
-7.6
-
Raw
RETINAL
RET_A_4
3QBG
C2_S1
-7.6
-
Raw
RETINAL
RET_A_4
1FBB
C2_S1
-7.6
-
Raw
RETINAL
RET_A_12
3DDL
C2_S1
-7.6
-
Raw
RETINAL
RET_A_7
1CWQ
C2_S1
-7.5
-
Raw
RETINAL
RET_A_7
1IXF
C2_S1
-7.5
-
Raw
RETINAL
RET_A_3
2ZFE
C2_S1
-7.5
-
Raw
RETINAL
RET_A_19
2JAF
C2_S1
-7.4
-
Raw
RETINAL
RET_A_3
2EI4
C2_S1
-7.4
-
Raw
RETINAL
RET_A_4
1QHJ
C2_S1
-7.4
-
Raw
RETINAL
RET_A_4
1VJM
C2_S1
-7.4
-
Raw
RETINAL
RET_A_7
1IW6
C2_S1
-7.4
-
Raw
RETINAL
RET_A_2
2ZZL
C2_S1
-7.4
-
Raw
RETINAL
RET_A_2
1R2N
C2_S1
-7.4
-
Raw
RETINAL
RET_A_4
1QKP
C2_S1
-7.2
-
Raw
RETINAL
RET_A_7
1DZE
C2_S1
-7.2
-
Raw
RETINAL
RET_A_7
1IW9
C2_S1
-7.2
-
Raw
RETINAL
RET_A_3
3HAO
C2_S1
-7.1
-
Raw
RETINAL
RET_A_3
1PY6
C2_S1
-7.1
-
Raw
RETINAL
RET_A_7
1QM8
C2_S1
-7.1
-
Raw
RETINAL
RET_B_10
1CWQ
C2_S1
-6.9
-
Raw
RETINAL
RET_A_3
3COC
C2_S1
-6.8
-
Raw
RETINAL
RET_A_2
3QAP
C2_S1
-6.3
-
Raw
RETINAL
RET_A_3
1H68
C2_S1
-6.1
-
Raw
RETINAL
22B_A_4
2EI4
C2_S1
-4.2
-
Raw
BACTERIORUBERIN
PH1_Y_25
1QHJ
C2_S1
-3.9
-
Raw
1,2-[DI-2,6,10,14-TETRAMETHYL-HEXADECAN-16-OXY]-PROPANE
PEE_G_7
1XIO
C2_S1
-3.1
-
Raw
PHOSPHATIDYLETHANOLAMINE
based on
1XIO
Atome Sc:
86.00
Type:
No conserved side chain are recalculated after transfer of ligand
Ligand
Origin
Active Site
pKd (Avg)
Cofactor
Transfer
Information
RET_A_2
1XIO
C2_S1
-8.3
-
Raw
RETINAL
RET_A_4
3QBG
C2_S1
-8.1
-
Raw
RETINAL
RET_A_5
3AM6
C2_S1
-7.8
-
Raw
RETINAL
RET_A_4
1QKO
C2_S1
-7.8
-
Raw
RETINAL
RET_A_4
1FBB
C2_S1
-7.8
-
Raw
RETINAL
RET_A_7
1UCQ
C2_S1
-7.7
-
Raw
RETINAL
RET_A_2
2ZZL
C2_S1
-7.6
-
Raw
RETINAL
RET_A_19
2JAF
C2_S1
-7.6
-
Raw
RETINAL
RET_A_4
1QKP
C2_S1
-7.6
-
Raw
RETINAL
RET_A_4
1QHJ
C2_S1
-7.5
-
Raw
RETINAL
RET_A_4
1VJM
C2_S1
-7.5
-
Raw
RETINAL
RET_A_7
1CWQ
C2_S1
-7.4
-
Raw
RETINAL
RET_B_10
1CWQ
C2_S1
-7.4
-
Raw
RETINAL
RET_A_7
1DZE
C2_S1
-7.4
-
Raw
RETINAL
RET_A_3
2EI4
C2_S1
-7.4
-
Raw
RETINAL
RET_A_3
3COC
C2_S1
-7.3
-
Raw
RETINAL
RET_A_7
1IW9
C2_S1
-7.2
-
Raw
RETINAL
RET_A_3
2ZFE
C2_S1
-7.2
-
Raw
RETINAL
RET_A_7
1QM8
C2_S1
-7.1
-
Raw
RETINAL
RET_A_3
3HAO
C2_S1
-7.0
-
Raw
RETINAL
RET_A_7
1IW6
C2_S1
-7.0
-
Raw
RETINAL
RET_A_3
1H68
C2_S1
-7.0
-
Raw
RETINAL
RET_A_2
3UG9
C2_S1
-6.9
-
Raw
RETINAL
RET_A_7
1IXF
C2_S1
-6.8
-
Raw
RETINAL
RET_A_3
1PY6
C2_S1
-6.8
-
Raw
RETINAL
RET_A_2
3QAP
C2_S1
-6.6
-
Raw
RETINAL
RET_A_10
1E12
C2_S1
-6.6
-
Raw
RETINAL
RET_A_2
1R2N
C2_S1
-6.5
-
Raw
RETINAL
RET_A_2
2WJK
C2_S1
-6.3
-
Raw
RETINAL
RET_A_12
3DDL
C2_S1
-6.0
-
Raw
RETINAL
PH1_Y_25
1QHJ
C2_S1
-3.9
-
Raw
1,2-[DI-2,6,10,14-TETRAMETHYL-HEXADECAN-16-OXY]-PROPANE
PEE_G_7
1XIO
C2_S1
-3.0
-
Raw
PHOSPHATIDYLETHANOLAMINE
based on
3AM6
Atome Sc:
85.69
Type:
No conserved side chain are recalculated after transfer of ligand
Ligand
Origin
Active Site
pKd (Avg)
Cofactor
Transfer
Information
RET_A_7
1QM8
C2_S1
-7.4
-
Raw
RETINAL
RET_A_2
2WJK
C2_S1
-7.4
-
Raw
RETINAL
RET_A_2
1XIO
C2_S1
-7.3
-
Raw
RETINAL
RET_A_4
3QBG
C2_S1
-7.3
-
Raw
RETINAL
RET_A_10
1E12
C2_S1
-7.3
-
Raw
RETINAL
RET_A_2
3UG9
C2_S1
-7.3
-
Raw
RETINAL
RET_A_5
3AM6
C2_S1
-7.2
-
Raw
RETINAL
RET_A_12
3DDL
C2_S1
-7.2
-
Raw
RETINAL
RET_A_4
1FBB
C2_S1
-7.1
-
Raw
RETINAL
RET_A_3
3HAO
C2_S1
-6.9
-
Raw
RETINAL
RET_A_4
1QKO
C2_S1
-6.9
-
Raw
RETINAL
RET_A_3
2EI4
C2_S1
-6.8
-
Raw
RETINAL
RET_A_19
2JAF
C2_S1
-6.8
-
Raw
RETINAL
RET_A_4
1VJM
C2_S1
-6.8
-
Raw
RETINAL
RET_A_2
1R2N
C2_S1
-6.8
-
Raw
RETINAL
RET_A_3
3COC
C2_S1
-6.7
-
Raw
RETINAL
RET_A_4
1QHJ
C2_S1
-6.7
-
Raw
RETINAL
RET_A_4
1QKP
C2_S1
-6.7
-
Raw
RETINAL
RET_A_7
1CWQ
C2_S1
-6.6
-
Raw
RETINAL
RET_A_7
1UCQ
C2_S1
-6.6
-
Raw
RETINAL
RET_A_2
2ZZL
C2_S1
-6.6
-
Raw
RETINAL
RET_A_7
1IW6
C2_S1
-6.5
-
Raw
RETINAL
RET_A_3
2ZFE
C2_S1
-6.5
-
Raw
RETINAL
RET_A_7
1DZE
C2_S1
-6.4
-
Raw
RETINAL
RET_A_7
1IW9
C2_S1
-6.3
-
Raw
RETINAL
RET_A_3
1PY6
C2_S1
-6.2
-
Raw
RETINAL
RET_A_2
3QAP
C2_S1
-6.1
-
Raw
RETINAL
RET_B_10
1CWQ
C2_S1
-5.9
-
Raw
RETINAL
RET_A_3
1H68
C2_S1
-5.9
-
Raw
RETINAL
RET_A_7
1IXF
C2_S1
-5.6
-
Raw
RETINAL
CLR_A_7
3AM6
C2_S1
-3.9
-
Raw
CHOLESTEROL
PEE_G_7
1XIO
C2_S1
-3.7
-
Raw
PHOSPHATIDYLETHANOLAMINE
PH1_V_22
1QHJ
C2_S1
-3.5
-
Raw
1,2-[DI-2,6,10,14-TETRAMETHYL-HEXADECAN-16-OXY]-PROPANE
CLR_A_6
3AM6
C2_S1
-3.2
-
Raw
CHOLESTEROL
based on
1C3W
Atome Sc:
86.66
Type:
No conserved side chain are recalculated after transfer of ligand
Ligand
Origin
Active Site
pKd (Avg)
Cofactor
Transfer
Information
RET_A_10
1E12
C2_S1
-7.3
-
Raw
RETINAL
RET_A_7
1UCQ
C2_S1
-7.1
-
Raw
RETINAL
RET_A_2
2WJK
C2_S1
-7.1
-
Raw
RETINAL
RET_A_4
1FBB
C2_S1
-7.0
-
Raw
RETINAL
RET_A_4
1QKO
C2_S1
-7.0
-
Raw
RETINAL
RET_A_12
3DDL
C2_S1
-6.9
-
Raw
RETINAL
RET_A_2
2ZZL
C2_S1
-6.9
-
Raw
RETINAL
RET_A_2
1XIO
C2_S1
-6.9
-
Raw
RETINAL
RET_A_2
1R2N
C2_S1
-6.8
-
Raw
RETINAL
RET_A_4
3QBG
C2_S1
-6.8
-
Raw
RETINAL
RET_A_2
3UG9
C2_S1
-6.7
-
Raw
RETINAL
RET_A_7
1DZE
C2_S1
-6.7
-
Raw
RETINAL
RET_A_7
1CWQ
C2_S1
-6.6
-
Raw
RETINAL
RET_A_5
3AM6
C2_S1
-6.5
-
Raw
RETINAL
RET_A_19
2JAF
C2_S1
-6.5
-
Raw
RETINAL
RET_A_4
1VJM
C2_S1
-6.5
-
Raw
RETINAL
RET_A_4
1QKP
C2_S1
-6.5
-
Raw
RETINAL
RET_A_3
2ZFE
C2_S1
-6.5
-
Raw
RETINAL
RET_A_7
1QM8
C2_S1
-6.5
-
Raw
RETINAL
RET_A_4
1QHJ
C2_S1
-6.5
-
Raw
RETINAL
RET_A_7
1IW6
C2_S1
-6.5
-
Raw
RETINAL
RET_A_3
2EI4
C2_S1
-6.4
-
Raw
RETINAL
RET_A_3
3HAO
C2_S1
-6.3
-
Raw
RETINAL
RET_A_7
1IXF
C2_S1
-6.2
-
Raw
RETINAL
RET_A_7
1IW9
C2_S1
-6.2
-
Raw
RETINAL
RET_B_10
1CWQ
C2_S1
-6.2
-
Raw
RETINAL
RET_A_3
1PY6
C2_S1
-6.2
-
Raw
RETINAL
RET_A_3
3COC
C2_S1
-6.0
-
Raw
RETINAL
RET_A_2
3QAP
C2_S1
-5.9
-
Raw
RETINAL
RET_A_3
1H68
C2_S1
-5.6
-
Raw
RETINAL
PH1_Y_25
1QHJ
C2_S1
-4.4
-
Raw
1,2-[DI-2,6,10,14-TETRAMETHYL-HEXADECAN-16-OXY]-PROPANE
LI1_G_7
1C3W
C2_S1
-3.3
-
Raw
1-[2,6,10.14-TETRAMETHYL-HEXADECAN-16-YL]-2-[2,10,14-TRIMETHYLHEXADECAN-16-YL]GLYCEROL
PEE_G_7
1XIO
C2_S1
-3.1
-
Raw
PHOSPHATIDYLETHANOLAMINE
based on
3DDL
Atome Sc:
90.30
Type:
No conserved side chain are recalculated after transfer of ligand
Ligand
Origin
Active Site
pKd (Avg)
Cofactor
Transfer
Information
RET_A_12
3DDL
C2_S1
-7.2
-
Raw
RETINAL
RET_A_10
1E12
C2_S1
-7.2
-
Raw
RETINAL
RET_A_5
3AM6
C2_S1
-6.8
-
Raw
RETINAL
RET_A_2
2WJK
C2_S1
-6.8
-
Raw
RETINAL
RET_A_4
1FBB
C2_S1
-6.8
-
Raw
RETINAL
RET_A_2
1XIO
C2_S1
-6.7
-
Raw
RETINAL
RET_A_19
2JAF
C2_S1
-6.7
-
Raw
RETINAL
RET_A_4
3QBG
C2_S1
-6.7
-
Raw
RETINAL
RET_A_4
1QKO
C2_S1
-6.6
-
Raw
RETINAL
RET_A_4
1VJM
C2_S1
-6.6
-
Raw
RETINAL
RET_A_4
1QHJ
C2_S1
-6.6
-
Raw
RETINAL
RET_A_2
3QAP
C2_S1
-6.6
-
Raw
RETINAL
RET_A_2
3UG9
C2_S1
-6.6
-
Raw
RETINAL
RET_A_7
1CWQ
C2_S1
-6.5
-
Raw
RETINAL
RET_A_2
2ZZL
C2_S1
-6.5
-
Raw
RETINAL
RET_A_7
1DZE
C2_S1
-6.4
-
Raw
RETINAL
RET_A_3
1H68
C2_S1
-6.4
-
Raw
RETINAL
RET_A_4
1QKP
C2_S1
-6.3
-
Raw
RETINAL
RET_A_7
1QM8
C2_S1
-6.3
-
Raw
RETINAL
RET_A_3
2EI4
C2_S1
-6.3
-
Raw
RETINAL
RET_A_7
1UCQ
C2_S1
-6.1
-
Raw
RETINAL
RET_A_3
1PY6
C2_S1
-6.0
-
Raw
RETINAL
RET_A_7
1IXF
C2_S1
-5.9
-
Raw
RETINAL
RET_A_3
3HAO
C2_S1
-5.8
-
Raw
RETINAL
RET_A_3
3COC
C2_S1
-5.7
-
Raw
RETINAL
RET_A_7
1IW9
C2_S1
-5.7
-
Raw
RETINAL
RET_A_3
2ZFE
C2_S1
-5.6
-
Raw
RETINAL
RET_B_10
1CWQ
C2_S1
-5.6
-
Raw
RETINAL
RET_A_7
1IW6
C2_S1
-5.6
-
Raw
RETINAL
RET_A_2
1R2N
C2_S1
-5.5
-
Raw
RETINAL
PEE_G_7
1XIO
C2_S1
-3.0
-
Raw
PHOSPHATIDYLETHANOLAMINE