In order to avoid security-related warning messages when switching to secured connection, you may want either to:

Click here to proceed.

Full alphabetical table:


ID
(D-form)
Full name 2D structure Structure Files PDB link Rotamer files Topology files
AS2 (2r)-2-amino-4-oxobutanoic acid AS2.pdb
AS2.mol2
AS2.smi

Dock me
PDB
Ligand
AS2_bbdep
AS2_bbind
AS2.top
AS2.rtp
AS2.hdb
AZDA azido-alanine AZDA.pdb
AZDA.mol2
AZDA.smi

Dock me
PDB
Ligand
AZDA_bbdep
AZDA_bbind
AZDA.top
AZDA.rtp
AZDA.hdb
CAN canaline CAN.pdb
CAN.mol2
CAN.smi

Dock me
PDB
Ligand
CAN_bbdep
CAN_bbind
CAN.top
CAN.rtp
CAN.hdb
CSA s-acetonylcysteine CSA.pdb
CSA.mol2
CSA.smi

Dock me
PDB
Ligand
CSA_bbdep
CSA_bbind
CSA.top
CSA.rtp
CSA.hdb
GLY Glycine GLY.pdb
GLY.mol2
GLY.smi

Dock me
PDB
Ligand
LED (4r)-5-oxo-l-leucine LED.pdb
LED.mol2
LED.smi

Dock me
PDB
Ligand
LED_bbdep
LED_bbind
LED.top
LED.rtp
LED.hdb
LVN 4-oxo-l-valine LVN.pdb
LVN.mol2
LVN.smi

Dock me
PDB
Ligand
LVN_bbdep
LVN_bbind
LVN.top
LVN.rtp
LVN.hdb
M2S 3,3-dimethyl-methionine sulfoxide M2S.pdb
M2S.mol2
M2S.smi

Dock me
PDB
Ligand
M2S_bbdep
M2S_bbind
M2S.top
M2S.rtp
M2S.hdb
OAS o-acetylserine OAS.pdb
OAS.mol2
OAS.smi

Dock me
PDB
Ligand
OAS_bbdep
OAS_bbind
OAS.top
OAS.rtp
OAS.hdb
OLT o-methyl-l-threonine OLT.pdb
OLT.mol2
OLT.smi

Dock me
PDB
Ligand
OLT_bbdep
OLT_bbind
OLT.top
OLT.rtp
OLT.hdb
ONL 5-oxo-l-norleucine ONL.pdb
ONL.mol2
ONL.smi

Dock me
PDB
Ligand
ONL_bbdep
ONL_bbind
ONL.top
ONL.rtp
ONL.hdb
PRO Proline PRO.pdb
PRO.mol2
PRO.smi

Dock me
PDB
Ligand
THG2 2-thienylglycine THG2.pdb
THG2.mol2
THG2.smi

Dock me
PDB
Ligand
THG2_bbdep
THG2_bbind
THG2.top
THG2.rtp
THG2.hdb
THG3 3-thienylglycine THG3.pdb
THG3.mol2
THG3.smi

Dock me
PDB
Ligand
THG3_bbdep
THG3_bbind
THG3.top
THG3.rtp
THG3.hdb