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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03403853

You can sort the columns by Ligand, Ligand name, PDB and Tanimoto.


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
DO22-AMINO-6-OXO-HEXANOIC ACIDA,B1DJP0.71
API2,6-DIAMINOPIMELIC ACIDA,B1E8C0.72
API2,6-DIAMINOPIMELIC ACIDA2DAP0.72
API2,6-DIAMINOPIMELIC ACIDE,S148L0.72
6CL6-CARBOXYLYSINEU2AIZ0.72
ONL5-OXO-L-NORLEUCINEA,B1ECG0.88
ONL5-OXO-L-NORLEUCINEA,B,C,D3DLA0.88
ONL5-OXO-L-NORLEUCINEA,X2Q3Z0.88
ONL5-OXO-L-NORLEUCINEA,B1ECC0.88
ONL5-OXO-L-NORLEUCINEA,B3BRM0.88
ONL5-OXO-L-NORLEUCINEA,B1OFE0.88
ONL5-OXO-L-NORLEUCINEA,B2J6H0.88
ABH2(S)-AMINO-6-BORONOHEXANOIC ACIDA,B1D3V0.77
ABH2(S)-AMINO-6-BORONOHEXANOIC ACIDA,B2PLL0.77
ABH2(S)-AMINO-6-BORONOHEXANOIC ACIDA,B3E6K0.77
ABH2(S)-AMINO-6-BORONOHEXANOIC ACIDA,B3E6V0.77
FGA5-oxo-D-norvalineC,F,G,H3DW80.72
FGA5-oxo-D-norvalineA,B,C,D,E,F,
G,H		2NYL0.72
FGA5-oxo-D-norvalineC,F,M,N2IAE0.72
FGA5-oxo-D-norvalineA,B,C,D,E,F,
G,H		2NYM0.72
LDO6-HYDROXY-L-NORLEUCINEA,B,C,D1JSR0.72
UN12-AMINOHEXANEDIOIC ACIDA,B,C,D1H0G0.72
26P2-AMINO-6-OXOPIMELIC ACIDA3TDT0.72
ILGGLUTAMYL GROUPA1EVC0.72
ILGGLUTAMYL GROUPA1XY50.72
ILGGLUTAMYL GROUPA1EVA0.72
ILGGLUTAMYL GROUPA1LCM0.72
ILGGLUTAMYL GROUPC,D2GSR0.72
ILGGLUTAMYL GROUPA1XY40.72
ILGGLUTAMYL GROUPA,B,C,D,E,F,
G,H		1AQX0.72
ILGGLUTAMYL GROUPA,B,C,D,E,F,
G,H		1AQW0.72
ILGGLUTAMYL GROUPA1EVB0.72
ILGGLUTAMYL GROUPA,B,C,D1I7Q0.72
ILGGLUTAMYL GROUPA,B1GAC0.72
ILGGLUTAMYL GROUPA1EVD0.72
ILGGLUTAMYL GROUPA,B,C,D1AQV0.72
B3E(3S)-3-AMINOHEXANEDIOIC ACIDA3C3G0.7
B3E(3S)-3-AMINOHEXANEDIOIC ACIDA2OXK0.7
B3E(3S)-3-AMINOHEXANEDIOIC ACIDA,B,C,D3C3F0.7
B3E(3S)-3-AMINOHEXANEDIOIC ACIDA,B,C3HEZ0.7
B3E(3S)-3-AMINOHEXANEDIOIC ACIDA,B,C2OXJ0.7
DGLD-GLUTAMIC ACIDA,B2JFX0.73
DGLD-GLUTAMIC ACIDA,B,C,H,K,L2R5D0.73
DGLD-GLUTAMIC ACIDA1C4B0.73
DGLD-GLUTAMIC ACIDA1CW80.73
DGLD-GLUTAMIC ACIDA,D1CZQ0.73
DGLD-GLUTAMIC ACIDA,B2JFY0.73
DGLD-GLUTAMIC ACIDI1QUR0.73
DGLD-GLUTAMIC ACIDA,D2Q3I0.73
DGLD-GLUTAMIC ACIDA1CVQ0.73
DGLD-GLUTAMIC ACIDA,B1P4N0.73
DGLD-GLUTAMIC ACIDA,B2VVT0.73
DGLD-GLUTAMIC ACIDE,S148L0.73
DGLD-GLUTAMIC ACIDA1KR60.73
DGLD-GLUTAMIC ACIDA,B,C,D2GZM0.73
DGLD-GLUTAMIC ACIDA1AY30.73
DGLD-GLUTAMIC ACIDA2J8F0.73
DGLD-GLUTAMIC ACIDU2AIZ0.73
DGLD-GLUTAMIC ACIDA,B,C2DWU0.73
DGLD-GLUTAMIC ACIDL2EAX0.73
DGLD-GLUTAMIC ACIDA,B2JFZ0.73
DGLD-GLUTAMIC ACIDH,I4THN0.73
DGLD-GLUTAMIC ACIDA1CWZ0.73
DGLD-GLUTAMIC ACIDP1MCK0.73
DGLD-GLUTAMIC ACIDA2JUE0.73
DGLD-GLUTAMIC ACIDA,B2JFO0.73
DGLD-GLUTAMIC ACIDA3H410.73
DGLD-GLUTAMIC ACIDA1D0K0.73
DGLD-GLUTAMIC ACIDL,N1WCO0.73
DGLD-GLUTAMIC ACIDA,B,C1ZUW0.73
DGLD-GLUTAMIC ACIDH,I5GDS0.73
DGLD-GLUTAMIC ACIDA,B,C,H,K,L2R5B0.73
DGLD-GLUTAMIC ACIDA,B2JFQ0.73
DGLD-GLUTAMIC ACIDA,B2Q330.73
DGLD-GLUTAMIC ACIDA,B2JFP0.73
DGLD-GLUTAMIC ACIDA,B,E,F2W4I0.73
DGLD-GLUTAMIC ACIDA2J8G0.73
DGLD-GLUTAMIC ACIDA,B,C,D2R3C0.73
MKE(4S)-4-AMINO-5-OXOHEXANOIC ACIDA,I2HAL0.83
B3Q(3S)-3,6-diamino-6-oxohexanoic acidA,B,C3HEZ0.7
B3Q(3S)-3,6-diamino-6-oxohexanoic acidA3C3G0.7
NPI2-AMINOPIMELIC ACIDA2TDT0.73
NPI2-AMINOPIMELIC ACIDA1KGQ0.73
HCS2-AMINO-4-MERCAPTO-BUTYRIC ACIDA,B3BQ50.75
HCS2-AMINO-4-MERCAPTO-BUTYRIC ACIDA,B1Q8A0.75
HCS2-AMINO-4-MERCAPTO-BUTYRIC ACIDA,B2CI50.75
HCS2-AMINO-4-MERCAPTO-BUTYRIC ACIDA,B1Q8J0.75
HCS2-AMINO-4-MERCAPTO-BUTYRIC ACIDA,B3BOF0.75
HCS2-AMINO-4-MERCAPTO-BUTYRIC ACIDA1U220.75
HCS2-AMINO-4-MERCAPTO-BUTYRIC ACIDA1JQW0.75
HCS2-AMINO-4-MERCAPTO-BUTYRIC ACIDA1JVI0.75
HCS2-AMINO-4-MERCAPTO-BUTYRIC ACIDA,B1XDJ0.75
HCS2-AMINO-4-MERCAPTO-BUTYRIC ACIDA,B3BOL0.75
ACA6-AMINOHEXANOIC ACIDA,B2JT90.71
ACA6-AMINOHEXANOIC ACIDA,B1CEA0.71
ACA6-AMINOHEXANOIC ACIDC1ILP0.71
ACA6-AMINOHEXANOIC ACIDA2PK40.71
ACA6-AMINOHEXANOIC ACID1,2,4,5,A,B,
C,D,E,J,K,L,
M,N,O,P,R,S,
T,U,V,Z		1M900.71
ACA6-AMINOHEXANOIC ACID0,1,3,4,5,9,
A,B,C,H,J,K,
L,M,N,O,Q,R,
S,T,U,Y,Z		1VQ60.71
ACA6-AMINOHEXANOIC ACID0,2,4,9,A,B,
C,H,I,J,K,L,
M,N,P,Q,R,S,
T,X,Y,Z		1KQS0.71
ACA6-AMINOHEXANOIC ACIDA1PK20.71
ACA6-AMINOHEXANOIC ACIDA2ZM70.71
ACA6-AMINOHEXANOIC ACID0,1,2,3,6,9,
A,B,C,D,F,H,
J,K,L,M,N,O,
Q,R,S,T,U,Y,Z		3CMA0.71
ACA6-AMINOHEXANOIC ACIDC1ILQ0.71
ACA6-AMINOHEXANOIC ACIDA2ZM80.71
ACA6-AMINOHEXANOIC ACID0,1,3,4,9,A,
B,C,D,F,H,J,
K,L,M,N,O,Q,
R,S,T,U,Y,Z		1VQK0.71
ACA6-AMINOHEXANOIC ACIDA2DCF0.71
ACA6-AMINOHEXANOIC ACIDA1HPK0.71
ACA6-AMINOHEXANOIC ACID0,1,3,4,9,A,
B,C,D,F,H,J,
K,L,M,N,O,Q,
R,S,T,U,Y,Z		1VQ80.71
ACA6-AMINOHEXANOIC ACID0,1,2,3,6,9,
A,B,C,F,H,J,
K,L,M,N,O,Q,
R,S,T,U,Y,Z		3CME0.71
ACA6-AMINOHEXANOIC ACIDA2ZM90.71
ACA6-AMINOHEXANOIC ACID0,1,2,3,4,5,
9,A,B,C,D,F,
H,J,K,L,M,N,
O,Q,R,S,T,U,
Y,Z		1VQN0.71
ACA6-AMINOHEXANOIC ACIDA2ZMA0.71
ACA6-AMINOHEXANOIC ACIDA3KIV0.71
ACA6-AMINOHEXANOIC ACID0,1,3,4,9,A,
B,C,D,F,H,J,
K,L,M,N,O,Q,
R,S,T,U,Y,Z		1VQ90.71
DGND-GLUTAMINEA,D2Q3I0.72
DGND-GLUTAMINEA,L1ZEA0.72
DGND-GLUTAMINEA,B2FCM0.72
DGND-GLUTAMINEA1BFW0.72
DGND-GLUTAMINEE1EPR0.72
DGND-GLUTAMINEA2JX40.72
DGND-GLUTAMINEA,B,C,D2R3C0.72
DGND-GLUTAMINEA,B,C,H,K,L2R5D0.72
DGND-GLUTAMINEA,B2Q330.72
DGND-GLUTAMINEA,B,C,H,K,L2R5B0.72
DGND-GLUTAMINEA,B,C1YJ10.72
DGND-GLUTAMINEA1B740.72
AB52(S)-AMINO-6-BORONOHEXANOIC ACIDA,B2AEB0.76
DDO6-HYDROXY-D-NORLEUCINEA,B,C,D1JSL0.72
KAP7-KETO-8-AMINOPELARGONIC ACIDA,B1QJ30.71
KAP7-KETO-8-AMINOPELARGONIC ACIDA,B,C,D3FMI0.71
KAP7-KETO-8-AMINOPELARGONIC ACIDA,B3DU40.71
CYG2-AMINO-4-(AMINO-3-OXO-PROPYLSULFANYLCARBONYL)-
BUTYRIC ACID		A1T3T0.76
CYG2-AMINO-4-(AMINO-3-OXO-PROPYLSULFANYLCARBONYL)-
BUTYRIC ACID		A,B,C,D,E,F,
G,H		1A9X0.76
CYG2-AMINO-4-(AMINO-3-OXO-PROPYLSULFANYLCARBONYL)-
BUTYRIC ACID		A,D,E,H,I,L3D540.76
CYG2-AMINO-4-(AMINO-3-OXO-PROPYLSULFANYLCARBONYL)-
BUTYRIC ACID		A,B,C,D,E,F,
G,H		1CS00.76
CAB4-CARBOXY-4-AMINOBUTANALA,B,M,N1FJM0.72
CAB4-CARBOXY-4-AMINOBUTANALC,I2IE30.72
CAB4-CARBOXY-4-AMINOBUTANALC,F,X,Y2NPP0.72
CAB4-CARBOXY-4-AMINOBUTANALA,B1DJO0.72
DNED-NORLEUCINEA1R9V0.77
DNED-NORLEUCINEA,B1S4A0.77
DNED-NORLEUCINEA,B1S1O0.77
AHP2-AMINO-HEPTANOIC ACIDD1J4X0.73
VIG4-AMINO HEXANOIC ACIDA,B,C,D1OHW0.72
DON6-DIAZENYL-5-OXO-L-NORLEUCINEA,B2OSU0.85
NLENORLEUCINEA1MMT0.77
NLENORLEUCINEA,B1JB60.77
NLENORLEUCINEC1K2B0.77
NLENORLEUCINEA,B,C2AVQ0.77
NLENORLEUCINEC,D,I,L1R1L0.77
NLENORLEUCINEE,S2RLN0.77
NLENORLEUCINEE,S1Z3L0.77
NLENORLEUCINEA,B,C2AOD0.77
NLENORLEUCINEA,B,C2J9J0.77
NLENORLEUCINEA,B,I4HVP0.77
NLENORLEUCINEA,B,C2AVM0.77
NLENORLEUCINEB,C1K1T0.77
NLENORLEUCINEA,B,C2AOC0.77
NLENORLEUCINEA,B,C2JE40.77
NLENORLEUCINEA,B,I3DCK0.77
NLENORLEUCINEB1EOL0.77
NLENORLEUCINEA1FF00.77
NLENORLEUCINEA1FG60.77
NLENORLEUCINEA1FGC0.77
NLENORLEUCINEE,S1Z3M0.77
NLENORLEUCINEA2RME0.77
NLENORLEUCINEB1FGL0.77
NLENORLEUCINEC1K1U0.77
NLENORLEUCINEA,B1B7H0.77
NLENORLEUCINEA1HTH0.77
NLENORLEUCINEA,B,D2J9K0.77
NLENORLEUCINEA2RMD0.77
NLENORLEUCINEA,B,C2AOG0.77
NLENORLEUCINEA2RMI0.77
NLENORLEUCINEI1EPO0.77
NLENORLEUCINEA1FFI0.77
NLENORLEUCINEA1HD90.77
NLENORLEUCINEA1FFF0.77
NLENORLEUCINEB2JND0.77
NLENORLEUCINEA1FEJ0.77
NLENORLEUCINEA2K9E0.77
NLENORLEUCINEC1CFN0.77
NLENORLEUCINEC1K2C0.77
NLENORLEUCINEA1WY40.77
NLENORLEUCINEA1FQ80.77
NLENORLEUCINEA,B1S1O0.77
NLENORLEUCINEA2F4K0.77
NLENORLEUCINEA,B1D5E0.77
NLENORLEUCINEA2JX40.77
NLENORLEUCINEA1FG80.77
NLENORLEUCINEA1WY30.77
NLENORLEUCINEI1YTJ0.77
NLENORLEUCINEA,B,I3DCR0.77
NLENORLEUCINEA,I2O400.77
NLENORLEUCINEA,B2GYP0.77
NLENORLEUCINEC,F1A8K0.77
NLENORLEUCINEC1BAI0.77
NLENORLEUCINEA,B2JT90.77
NLENORLEUCINEA2RM90.77
NLENORLEUCINEA,B1DAZ0.77
NLENORLEUCINEA1F3R0.77
NLENORLEUCINEA,I2JXR0.77
NLENORLEUCINEC,F1A940.77
NLENORLEUCINEA,B1S4A0.77
NLENORLEUCINEA1R9V0.77
NLENORLEUCINEA,B,C,D,E,F2Z2T0.77
LYZ5-HYDROXYLYSINEA,B,C,D1QGW0.71
LYZ5-HYDROXYLYSINEA,B,C,D1XG00.71
LYZ5-HYDROXYLYSINEA,B,C,D1XF60.71
LYZ5-HYDROXYLYSINEA,B,C1YGV0.71
LYZ5-HYDROXYLYSINEA,B,C1Y0F0.71
DLYD-LYSINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P		1YWH0.77
DLYD-LYSINEA1C4B0.77
DLYD-LYSINEA,B,C,D3BOG0.77
DLYD-LYSINEA1KO00.77
DLYD-LYSINEA,B,C,D3C1P0.77
DLYD-LYSINEA,B,C,H,K,L2R5D0.77
DLYD-LYSINEA,B,C,D2R3C0.77
DLYD-LYSINEA,B,C,H,K,L2R5B0.77
DLYD-LYSINEA,B2Q330.77
DLYD-LYSINEA,B2ATS0.77
DLYD-LYSINEA1RCQ0.77
CYD2-AMINO-6-(CYSTEIN-S-YL)-5-OXO-
HEXANOIC ACID		A2V4U0.86
CYD2-AMINO-6-(CYSTEIN-S-YL)-5-OXO-
HEXANOIC ACID		A,B1OX40.86
NVANORVALINEB,C1CA80.7
NVANORVALINEB,C,D1BA80.7
NVANORVALINEA1C9Y0.7
NVANORVALINEA,D2BTE0.7
NVANORVALINEA1OBH0.7
NVANORVALINEE,S1Z3P0.7
NVANORVALINEA1ZNM0.7
NVANORVALINEA1JDX0.7
NVANORVALINEA1FB50.7
NVANORVALINEA1OBC0.7
NVANORVALINE11YYY0.7
NVANORVALINEA,B1B6H0.7
NVANORVALINEA,B1ZZZ0.7
NVANORVALINEA,B,C2I6U0.7
NVANORVALINEB,C1BB00.7
NVANORVALINEE,S1Z3M0.7