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Full alphabetical table:


ID
(D-form)
Full name 2D structure Structure Files PDB link Rotamer files Topology files
0A1 4-methoxy-Phenylalanine 0A1.pdb
0A1.mol2
0A1.smi

Dock me
PDB
Ligand
0A1_bbdep
0A1_bbind
0A1.top
0A1.rtp
0A1.hdb
0BN 4-carbamimidoyl-l-phenylalanine 0BN.pdb
0BN.mol2
0BN.smi

Dock me
PDB
Ligand
0BN_bbdep
0BN_bbind
0BN.top
0BN.rtp
0BN.hdb
200 4-chloro-Phenylalanine 200.pdb
200.mol2
200.smi

Dock me
PDB
Ligand
200_bbdep
200_bbind
200.top
200.rtp
200.hdb
3CF 3-cyano-phenylalanine 3CF.pdb
3CF.mol2
3CF.smi

Dock me
PDB
Ligand
3CF_bbdep
3CF_bbind
3CF.top
3CF.rtp
3CF.hdb
3MY 3-Chloro-tyrosine 3MY.pdb
3MY.mol2
3MY.smi

Dock me
PDB
Ligand
3MY_bbdep
3MY_bbind
3MY.top
3MY.rtp
3MY.hdb
4BF 4-Bromo-phenylalanine 4BF.pdb
4BF.mol2
4BF.smi

Dock me
PDB
Ligand
4BF_bbdep
4BF_bbind
4BF.top
4BF.rtp
4BF.hdb
4CF 4-cyano-phenylalanine 4CF.pdb
4CF.mol2
4CF.smi

Dock me
PDB
Ligand
4CF_bbdep
4CF_bbind
4CF.top
4CF.rtp
4CF.hdb
4HMP 4-hydroxymethyl-phenylalanine 4HMP.pdb
4HMP.mol2
4HMP.smi

Dock me
PDB
Ligand
4HMP_bbdep
4HMP_bbind
4HMP.top
4HMP.rtp
4HMP.hdb
4PH 4-methyl-phenylalanine 4PH.pdb
4PH.mol2
4PH.smi

Dock me
PDB
Ligand
4PH_bbdep
4PH_bbind
4PH.top
4PH.rtp
4PH.hdb
ALN 1-Naphthyl-alanine ALN.pdb
ALN.mol2
ALN.smi

Dock me
PDB
Ligand
ALN_bbdep
ALN_bbind
ALN.top
ALN.rtp
ALN.hdb
ANTH 3-(9-anthryl)-alanine ANTH.pdb
ANTH.mol2
ANTH.smi

Dock me
PDB
Ligand
ANTH_bbdep
ANTH_bbind
ANTH.top
ANTH.rtp
ANTH.hdb
APD 3-Methyl-phenylalanine APD.pdb
APD.mol2
APD.smi

Dock me
PDB
Ligand
APD_bbdep
APD_bbind
APD.top
APD.rtp
APD.hdb
APM m-amidinophenyl-3-alanine APM.pdb
APM.mol2
APM.smi

Dock me
PDB
Ligand
APM_bbdep
APM_bbind
APM.top
APM.rtp
APM.hdb
BB8 Phenylserine BB8.pdb
BB8.mol2
BB8.smi

Dock me
PDB
Ligand
BB8_bbdep
BB8_bbind
BB8.top
BB8.rtp
BB8.hdb
BCS benzylcysteine BCS.pdb
BCS.mol2
BCS.smi

Dock me
PDB
Ligand
BCS_bbdep
BCS_bbind
BCS.top
BCS.rtp
BCS.hdb
BIF 4,4-biphenylalanine BIF.pdb
BIF.mol2
BIF.smi

Dock me
PDB
Ligand
BIF_bbdep
BIF_bbind
BIF.top
BIF.rtp
BIF.hdb
CNP2 2-cyano-phenylalanine CNP2.pdb
CNP2.mol2
CNP2.smi

Dock me
PDB
Ligand
CNP2_bbdep
CNP2_bbind
CNP2.top
CNP2.rtp
CNP2.hdb
CP24 2,4-dichloro-phenylalanine CP24.pdb
CP24.mol2
CP24.smi

Dock me
PDB
Ligand
CP24_bbdep
CP24_bbind
CP24.top
CP24.rtp
CP24.hdb
CP34 3,4-dichloro-phenylalanine CP34.pdb
CP34.mol2
CP34.smi

Dock me
PDB
Ligand
CP34_bbdep
CP34_bbind
CP34.top
CP34.rtp
CP34.hdb
CPH2 2-chloro-Phenylalanine CPH2.pdb
CPH2.mol2
CPH2.smi

Dock me
PDB
Ligand
CPH2_bbdep
CPH2_bbind
CPH2.top
CPH2.rtp
CPH2.hdb
DAH 3,4-Dihydroxy-phenylalanine DAH.pdb
DAH.mol2
DAH.smi

Dock me
PDB
Ligand
DAH_bbdep
DAH_bbind
DAH.top
DAH.rtp
DAH.hdb
DBY 3,5-dibromotyrosine DBY.pdb
DBY.mol2
DBY.smi

Dock me
PDB
Ligand
DBY_bbdep
DBY_bbind
DBY.top
DBY.rtp
DBY.hdb
DIPH 3,3-diphenylalanine DIPH.pdb
DIPH.mol2
DIPH.smi

Dock me
PDB
Ligand
DIPH_bbdep
DIPH_bbind
DIPH.top
DIPH.rtp
DIPH.hdb
DMP3 3-ethyl-phenylalanine DMP3.pdb
DMP3.mol2
DMP3.smi

Dock me
PDB
Ligand
DMP3_bbdep
DMP3_bbind
DMP3.top
DMP3.rtp
DMP3.hdb
F2F 3,4-Difluoro-phenylalanine F2F.pdb
F2F.mol2
F2F.smi

Dock me
PDB
Ligand
F2F_bbdep
F2F_bbind
F2F.top
F2F.rtp
F2F.hdb
FCL 3-chloro-Phenylalanine FCL.pdb
FCL.mol2
FCL.smi

Dock me
PDB
Ligand
FCL_bbdep
FCL_bbind
FCL.top
FCL.rtp
FCL.hdb
FPH2 2-Fluoro-Phenylalanine FPH2.pdb
FPH2.mol2
FPH2.smi

Dock me
PDB
Ligand
FPH2_bbdep
FPH2_bbind
FPH2.top
FPH2.rtp
FPH2.hdb
FPH3 3-Fluoro-Phenylalanine FPH3.pdb
FPH3.mol2
FPH3.smi

Dock me
PDB
Ligand
FPH3_bbdep
FPH3_bbind
FPH3.top
FPH3.rtp
FPH3.hdb
HOX 4-amino-L-phenylalanine HOX.pdb
HOX.mol2
HOX.smi

Dock me
PDB
Ligand
HOX_bbdep
HOX_bbind
HOX.top
HOX.rtp
HOX.hdb
HPE Homophenylalanine HPE.pdb
HPE.mol2
HPE.smi

Dock me
PDB
Ligand
HPE_bbdep
HPE_bbind
HPE.top
HPE.rtp
HPE.hdb
HQA 3-(8-hydroxyquinolin-3-yl)-l-alanine HQA.pdb
HQA.mol2
HQA.smi

Dock me
PDB
Ligand
HQA_bbdep
HQA_bbind
HQA.top
HQA.rtp
HQA.hdb
IYR 3-iodo-tyrosine IYR.pdb
IYR.mol2
IYR.smi

Dock me
PDB
Ligand
IYR_bbdep
IYR_bbind
IYR.top
IYR.rtp
IYR.hdb
KYN kynurenine KYN.pdb
KYN.mol2
KYN.smi

Dock me
PDB
Ligand
KYN_bbdep
KYN_bbind
KYN.top
KYN.rtp
KYN.hdb
MP34 3,4-Dimethyl-phenylalanine MP34.pdb
MP34.mol2
MP34.smi

Dock me
PDB
Ligand
MP34_bbdep
MP34_bbind
MP34.top
MP34.rtp
MP34.hdb
MPH2 2-Methyl-phenylalanine MPH2.pdb
MPH2.mol2
MPH2.smi

Dock me
PDB
Ligand
MPH2_bbdep
MPH2_bbind
MPH2.top
MPH2.rtp
MPH2.hdb
MTY m-Tyrosine MTY.pdb
MTY.mol2
MTY.smi

Dock me
PDB
Ligand
MTY_bbdep
MTY_bbind
MTY.top
MTY.rtp
MTY.hdb
NAL 2-Naphthyl-alanine NAL.pdb
NAL.mol2
NAL.smi

Dock me
PDB
Ligand
NAL_bbdep
NAL_bbind
NAL.top
NAL.rtp
NAL.hdb
NAO1 5-hydroxy-1-naphthalene NAO1.pdb
NAO1.mol2
NAO1.smi

Dock me
PDB
Ligand
NAO1_bbdep
NAO1_bbind
NAO1.top
NAO1.rtp
NAO1.hdb
NAO2 6-hydroxy-2-naphthalene NAO2.pdb
NAO2.mol2
NAO2.smi

Dock me
PDB
Ligand
NAO2_bbdep
NAO2_bbind
NAO2.top
NAO2.rtp
NAO2.hdb
NIY meta-nitro-tyrosine NIY.pdb
NIY.mol2
NIY.smi

Dock me
PDB
Ligand
NIY_bbdep
NIY_bbind
NIY.top
NIY.rtp
NIY.hdb
OMX (betar)-beta-hydroxy-l-tyrosine OMX.pdb
OMX.mol2
OMX.smi

Dock me
PDB
Ligand
OMX_bbdep
OMX_bbind
OMX.top
OMX.rtp
OMX.hdb
OMY (betar)-3-chloro-beta-hydroxy-l-tyrosine OMY.pdb
OMY.mol2
OMY.smi

Dock me
PDB
Ligand
OMY_bbdep
OMY_bbind
OMY.top
OMY.rtp
OMY.hdb
OTYR o-Tyrosine OTYR.pdb
OTYR.mol2
OTYR.smi

Dock me
PDB
Ligand
OTYR_bbdep
OTYR_bbind
OTYR.top
OTYR.rtp
OTYR.hdb
PBF 4-benzoyl-phenylalanine PBF.pdb
PBF.mol2
PBF.smi

Dock me
PDB
Ligand
PBF_bbdep
PBF_bbind
PBF.top
PBF.rtp
PBF.hdb
PF5 pentafluoro-phenylalanine PF5.pdb
PF5.mol2
PF5.smi

Dock me
PDB
Ligand
PF5_bbdep
PF5_bbind
PF5.top
PF5.rtp
PF5.hdb
PFF 4-Fluoro-Phenylalanine PFF.pdb
PFF.mol2
PFF.smi

Dock me
PDB
Ligand
PFF_bbdep
PFF_bbind
PFF.top
PFF.rtp
PFF.hdb
PHE Phenylalanine PHE.pdb
PHE.mol2
PHE.smi

Dock me
PDB
Ligand
PHE_bbdep
PHE_bbind
PHI 4-Iodo-Phenylalanine PHI.pdb
PHI.mol2
PHI.smi

Dock me
PDB
Ligand
PHI_bbdep
PHI_bbind
PHI.top
PHI.rtp
PHI.hdb
PPN 4-Nitro-phenylalanine PPN.pdb
PPN.mol2
PPN.smi

Dock me
PDB
Ligand
PPN_bbdep
PPN_bbind
PPN.top
PPN.rtp
PPN.hdb
PTR phosphotyrosine PTR.pdb
PTR.mol2
PTR.smi

Dock me
PDB
Ligand
PTR_bbdep
PTR_bbind
PTR.top
PTR.rtp
PTR.hdb
PTR2 phosphotyrosine (charge: -2) PTR2.pdb
PTR2.mol2
PTR2.smi

Dock me
PDB
Ligand
PTR2_bbdep
PTR2_bbind
PTR2.top
PTR2.rtp
PTR2.hdb
PYR2 3-(2-Pyridyl)-alanine PYR2.pdb
PYR2.mol2
PYR2.smi

Dock me
PDB
Ligand
PYR2_bbdep
PYR2_bbind
PYR2.top
PYR2.rtp
PYR2.hdb
PYR3 3-(3-Pyridyl)-alanine PYR3.pdb
PYR3.mol2
PYR3.smi

Dock me
PDB
Ligand
PYR3_bbdep
PYR3_bbind
PYR3.top
PYR3.rtp
PYR3.hdb
PYR4 3-(4-Pyridyl)-alanine PYR4.pdb
PYR4.mol2
PYR4.smi

Dock me
PDB
Ligand
PYR4_bbdep
PYR4_bbind
PYR4.top
PYR4.rtp
PYR4.hdb
QU32 3-(2-Quinolyl)-alanine QU32.pdb
QU32.mol2
QU32.smi

Dock me
PDB
Ligand
QU32_bbdep
QU32_bbind
QU32.top
QU32.rtp
QU32.hdb
QU33 3-(3-quinolyl)-alanine QU33.pdb
QU33.mol2
QU33.smi

Dock me
PDB
Ligand
QU33_bbdep
QU33_bbind
QU33.top
QU33.rtp
QU33.hdb
QU34 3-(4-quinolyl)-alanine QU34.pdb
QU34.mol2
QU34.smi

Dock me
PDB
Ligand
QU34_bbdep
QU34_bbind
QU34.top
QU34.rtp
QU34.hdb
QU35 3-(5-Quinolyl)-alanine QU35.pdb
QU35.mol2
QU35.smi

Dock me
PDB
Ligand
QU35_bbdep
QU35_bbind
QU35.top
QU35.rtp
QU35.hdb
QU36 3-(6-Quinolyl)-alanine QU36.pdb
QU36.mol2
QU36.smi

Dock me
PDB
Ligand
QU36_bbdep
QU36_bbind
QU36.top
QU36.rtp
QU36.hdb
QX32 3-(2-quinoxalyl)-alanine QX32.pdb
QX32.mol2
QX32.smi

Dock me
PDB
Ligand
QX32_bbdep
QX32_bbind
QX32.top
QX32.rtp
QX32.hdb
STYA Styrylalanine STYA.pdb
STYA.mol2
STYA.smi

Dock me
PDB
Ligand
STYA_bbdep
STYA_bbind
STYA.top
STYA.rtp
STYA.hdb
TBP4 4-tert-butyl-phenylalanine TBP4.pdb
TBP4.mol2
TBP4.smi

Dock me
PDB
Ligand
TBP4_bbdep
TBP4_bbind
TBP4.top
TBP4.rtp
TBP4.hdb
TFP2 2-(Trifluoromethyl)-phenylalanine TFP2.pdb
TFP2.mol2
TFP2.smi

Dock me
PDB
Ligand
TFP2_bbdep
TFP2_bbind
TFP2.top
TFP2.rtp
TFP2.hdb
TFP3 3-(Trifluoromethyl)-phenylalanine TFP3.pdb
TFP3.mol2
TFP3.smi

Dock me
PDB
Ligand
TFP3_bbdep
TFP3_bbind
TFP3.top
TFP3.rtp
TFP3.hdb
TFP4 4-(Trifluoromethyl)-phenylalanine TFP4.pdb
TFP4.mol2
TFP4.smi

Dock me
PDB
Ligand
TFP4_bbdep
TFP4_bbind
TFP4.top
TFP4.rtp
TFP4.hdb
TY2 3-Amino-L-tyrosine TY2.pdb
TY2.mol2
TY2.smi

Dock me
PDB
Ligand
TY2_bbdep
TY2_bbind
TY2.top
TY2.rtp
TY2.hdb
TYI 3,5-diiodotyrosine TYI.pdb
TYI.mol2
TYI.smi

Dock me
PDB
Ligand
TYI_bbdep
TYI_bbind
TYI.top
TYI.rtp
TYI.hdb
TYQ 3-amino-6-hydroxy-tyrosine TYQ.pdb
TYQ.mol2
TYQ.smi

Dock me
PDB
Ligand
TYQ_bbdep
TYQ_bbind
TYQ.top
TYQ.rtp
TYQ.hdb
TYR Tyrosine TYR.pdb
TYR.mol2
TYR.smi

Dock me
PDB
Ligand
TYR_bbdep
TYR_bbind
WFP 3,5-Difluoro-phenylalanine WFP.pdb
WFP.mol2
WFP.smi

Dock me
PDB
Ligand
WFP_bbdep
WFP_bbind
WFP.top
WFP.rtp
WFP.hdb
YOF 3-fluorotyrosine YOF.pdb
YOF.mol2
YOF.smi

Dock me
PDB
Ligand
YOF_bbdep
YOF_bbind
YOF.top
YOF.rtp
YOF.hdb
i