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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02886558

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
B3A(3S)-3-AMINOBUTANOIC ACIDA,B,C2OXJ0.72
B3A(3S)-3-AMINOBUTANOIC ACIDA,B,C3HEZ0.72
B3A(3S)-3-AMINOBUTANOIC ACIDA2OXK0.72
DAVDELTA-AMINO VALERIC ACIDA1H7O0.8
DAVDELTA-AMINO VALERIC ACIDA7JDW0.8
DNED-NORLEUCINEA1R9V0.71
DNED-NORLEUCINEA,B1S4A0.71
DNED-NORLEUCINEA,B1S1O0.71
CAB4-CARBOXY-4-AMINOBUTANALA,B,M,N1FJM0.71
CAB4-CARBOXY-4-AMINOBUTANALC,I2IE30.71
CAB4-CARBOXY-4-AMINOBUTANALC,F,X,Y2NPP0.71
CAB4-CARBOXY-4-AMINOBUTANALA,B1DJO0.71
B3E(3S)-3-AMINOHEXANEDIOIC ACIDA3C3G0.73
B3E(3S)-3-AMINOHEXANEDIOIC ACIDA2OXK0.73
B3E(3S)-3-AMINOHEXANEDIOIC ACIDA,B,C,D3C3F0.73
B3E(3S)-3-AMINOHEXANEDIOIC ACIDA,B,C3HEZ0.73
B3E(3S)-3-AMINOHEXANEDIOIC ACIDA,B,C2OXJ0.73
DGND-GLUTAMINEA,D2Q3I0.88
DGND-GLUTAMINEA,L1ZEA0.88
DGND-GLUTAMINEA,B2FCM0.88
DGND-GLUTAMINEA1BFW0.88
DGND-GLUTAMINEE1EPR0.88
DGND-GLUTAMINEA2JX40.88
DGND-GLUTAMINEA,B,C,D2R3C0.88
DGND-GLUTAMINEA,B,C,H,K,L2R5D0.88
DGND-GLUTAMINEA,B2Q330.88
DGND-GLUTAMINEA,B,C,H,K,L2R5B0.88
DGND-GLUTAMINEA,B,C1YJ10.88
DGND-GLUTAMINEA1B740.88
BGTTERT-BUTYL D-ALPHA-GLUTAMINATEA,B2AFU0.7
ORQN~5~-ACETYL-L-ORNITHINEP,Q2FX90.73
UN12-AMINOHEXANEDIOIC ACIDA,B,C,D1H0G0.72
ORNORNITHINEE1LAH0.82
ORNORNITHINEB,C,E,F,H,I,
K,L		1JDB0.82
ORNORNITHINEA,Y1TK20.82
ORNORNITHINEA,B,C2W6U0.82
ORNORNITHINEA1T5M0.82
ORNORNITHINEA,B,C,D,E,G,H1BXR0.82
ORNORNITHINEA,B,C,D,E,F,
G,H		1KEE0.82
ORNORNITHINEA,B,C1HQG0.82
ORNORNITHINEA,B,C2W6T0.82
ORNORNITHINEA,B1X7D0.82
ORNORNITHINEA1T5N0.82
ORNORNITHINEA,B,C,D,E,F,
G,H		1CE80.82
ORNORNITHINEA1DSR0.82
ORNORNITHINEA,B,C,D,E,F,
G,H		1A9X0.82
ORNORNITHINEH,K,L,M,P,R1N0X0.82
ORNORNITHINEA,B2PM50.82
ORNORNITHINEA,B,C,D,E,F,
G,H		1CS00.82
ORNORNITHINEE,I1QR30.82
ORNORNITHINEA1HTH0.82
ORNORNITHINEA,B,C,D,E,F,
G,H		1M6V0.82
ORNORNITHINEA,B,C,D,E,F,
G,H		1C3O0.82
ORNORNITHINEA,B,C,D,E,F,
G,H		1C300.82
ORNORNITHINEA1XT70.82
ORNORNITHINEA3JDW0.82
ORNORNITHINEA,B,C,D,E,F,
G,H		1T360.82
ORNORNITHINEA,B1B2H0.82
ORNORNITHINEA,B,C,D,E,F4CEV0.82
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
B3D3-AMINOPENTANEDIOIC ACIDA,B,C2OXJ0.8
B3D3-AMINOPENTANEDIOIC ACIDA,B,C,D3C3F0.8
B3D3-AMINOPENTANEDIOIC ACIDA2OXK0.8
B3D3-AMINOPENTANEDIOIC ACIDA3C3G0.8
B3D3-AMINOPENTANEDIOIC ACIDA3C3H0.8
GHGGAMMA-HYDROXY-GLUTAMINEH,L1RUA0.76
GHGGAMMA-HYDROXY-GLUTAMINEH,L1RUL0.76
GHGGAMMA-HYDROXY-GLUTAMINEH,L1RU90.76
NLENORLEUCINEA1MMT0.71
NLENORLEUCINEA,B1JB60.71
NLENORLEUCINEC1K2B0.71
NLENORLEUCINEA,B,C2AVQ0.71
NLENORLEUCINEC,D,I,L1R1L0.71
NLENORLEUCINEE,S2RLN0.71
NLENORLEUCINEE,S1Z3L0.71
NLENORLEUCINEA,B,C2AOD0.71
NLENORLEUCINEA,B,C2J9J0.71
NLENORLEUCINEA,B,I4HVP0.71
NLENORLEUCINEA,B,C2AVM0.71
NLENORLEUCINEB,C1K1T0.71
NLENORLEUCINEA,B,C2AOC0.71
NLENORLEUCINEA,B,C2JE40.71
NLENORLEUCINEA,B,I3DCK0.71
NLENORLEUCINEB1EOL0.71
NLENORLEUCINEA1FF00.71
NLENORLEUCINEA1FG60.71
NLENORLEUCINEA1FGC0.71
NLENORLEUCINEE,S1Z3M0.71
NLENORLEUCINEA2RME0.71
NLENORLEUCINEB1FGL0.71
NLENORLEUCINEC1K1U0.71
NLENORLEUCINEA,B1B7H0.71
NLENORLEUCINEA1HTH0.71
NLENORLEUCINEA,B,D2J9K0.71
NLENORLEUCINEA2RMD0.71
NLENORLEUCINEA,B,C2AOG0.71
NLENORLEUCINEA2RMI0.71
NLENORLEUCINEI1EPO0.71
NLENORLEUCINEA1FFI0.71
NLENORLEUCINEA1HD90.71
NLENORLEUCINEA1FFF0.71
NLENORLEUCINEB2JND0.71
NLENORLEUCINEA1FEJ0.71
NLENORLEUCINEA2K9E0.71
NLENORLEUCINEC1CFN0.71
NLENORLEUCINEC1K2C0.71
NLENORLEUCINEA1WY40.71
NLENORLEUCINEA1FQ80.71
NLENORLEUCINEA,B1S1O0.71
NLENORLEUCINEA2F4K0.71
NLENORLEUCINEA,B1D5E0.71
NLENORLEUCINEA2JX40.71
NLENORLEUCINEA1FG80.71
NLENORLEUCINEA1WY30.71
NLENORLEUCINEI1YTJ0.71
NLENORLEUCINEA,B,I3DCR0.71
NLENORLEUCINEA,I2O400.71
NLENORLEUCINEA,B2GYP0.71
NLENORLEUCINEC,F1A8K0.71
NLENORLEUCINEC1BAI0.71
NLENORLEUCINEA,B2JT90.71
NLENORLEUCINEA2RM90.71
NLENORLEUCINEA,B1DAZ0.71
NLENORLEUCINEA1F3R0.71
NLENORLEUCINEA,I2JXR0.71
NLENORLEUCINEC,F1A940.71
NLENORLEUCINEA,B1S4A0.71
NLENORLEUCINEA1R9V0.71
NLENORLEUCINEA,B,C,D,E,F2Z2T0.71
B3X(3S)-3,5-DIAMINO-5-OXOPENTANOIC ACIDA,B,C2OXJ1
B3X(3S)-3,5-DIAMINO-5-OXOPENTANOIC ACIDA2OXK1
HGAGLUTAMINE HYDROXAMATEA,B1XFG0.82
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
HOZ(4S)-4,5-DIAMINOPENTANOIC ACIDA,B2HOZ0.81
HOZ(4S)-4,5-DIAMINOPENTANOIC ACIDA,B2HP20.81
HOZ(4S)-4,5-DIAMINOPENTANOIC ACIDA,B2HP10.81
B3Q(3S)-3,6-diamino-6-oxohexanoic acidA,B,C3HEZ0.83
B3Q(3S)-3,6-diamino-6-oxohexanoic acidA3C3G0.83
AORN~2~-ACETYL-L-ORNITHINEA1ZQ60.72
DON6-DIAZENYL-5-OXO-L-NORLEUCINEA,B2OSU0.7
DLYD-LYSINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P		1YWH0.74
DLYD-LYSINEA1C4B0.74
DLYD-LYSINEA,B,C,D3BOG0.74
DLYD-LYSINEA1KO00.74
DLYD-LYSINEA,B,C,D3C1P0.74
DLYD-LYSINEA,B,C,H,K,L2R5D0.74
DLYD-LYSINEA,B,C,D2R3C0.74
DLYD-LYSINEA,B,C,H,K,L2R5B0.74
DLYD-LYSINEA,B2Q330.74
DLYD-LYSINEA,B2ATS0.74
DLYD-LYSINEA1RCQ0.74
NLQN~2~-ACETYL-L-GLUTAMINEA,B,C,D2GGH0.73
NLQN~2~-ACETYL-L-GLUTAMINEA,B,C,D1XPY0.73
ASKDEHYDROXYMETHYLASPARTIC ACIDB2J320.71
ASKDEHYDROXYMETHYLASPARTIC ACIDE,F1JXQ0.71
ASKDEHYDROXYMETHYLASPARTIC ACIDA,I2F4O0.71
ASKDEHYDROXYMETHYLASPARTIC ACIDA,I1X3Z0.71
ASKDEHYDROXYMETHYLASPARTIC ACIDI2CJX0.71
ASKDEHYDROXYMETHYLASPARTIC ACIDB2J330.71
ASKDEHYDROXYMETHYLASPARTIC ACIDT,U,V,W,X,Y1QDU0.71
ASKDEHYDROXYMETHYLASPARTIC ACIDC,D1CP30.71
ASKDEHYDROXYMETHYLASPARTIC ACIDA,B,C,D,E,F1M720.71
ASKDEHYDROXYMETHYLASPARTIC ACIDB2J300.71
ASKDEHYDROXYMETHYLASPARTIC ACIDB2J310.71
ASKDEHYDROXYMETHYLASPARTIC ACIDI2CJY0.71
FGA5-oxo-D-norvalineC,F,G,H3DW80.71
FGA5-oxo-D-norvalineA,B,C,D,E,F,
G,H		2NYL0.71
FGA5-oxo-D-norvalineC,F,M,N2IAE0.71
FGA5-oxo-D-norvalineA,B,C,D,E,F,
G,H		2NYM0.71
MGN2-METHYL-GLUTAMINEA,B,C,D,E,F1HBM0.74
MGN2-METHYL-GLUTAMINEA,B,C,D,E,F1HBN0.74
MGN2-METHYL-GLUTAMINEA,B,C,D,E,F1HBU0.74
MGN2-METHYL-GLUTAMINEA,B,C,D,E,F1HBO0.74
MGN2-METHYL-GLUTAMINEA,C,D,F1MRO0.74
ABH2(S)-AMINO-6-BORONOHEXANOIC ACIDA,B1D3V0.71
ABH2(S)-AMINO-6-BORONOHEXANOIC ACIDA,B2PLL0.71
ABH2(S)-AMINO-6-BORONOHEXANOIC ACIDA,B3E6K0.71
ABH2(S)-AMINO-6-BORONOHEXANOIC ACIDA,B3E6V0.71
MEQN5-METHYLGLUTAMINEA,B1NV80.78
NVANORVALINEB,C1CA80.73
NVANORVALINEB,C,D1BA80.73
NVANORVALINEA1C9Y0.73
NVANORVALINEA,D2BTE0.73
NVANORVALINEA1OBH0.73
NVANORVALINEE,S1Z3P0.73
NVANORVALINEA1ZNM0.73
NVANORVALINEA1JDX0.73
NVANORVALINEA1FB50.73
NVANORVALINEA1OBC0.73
NVANORVALINE11YYY0.73
NVANORVALINEA,B1B6H0.73
NVANORVALINEA,B1ZZZ0.73
NVANORVALINEA,B,C2I6U0.73
NVANORVALINEB,C1BB00.73
NVANORVALINEE,S1Z3M0.73
B3K(3S)-3,7-DIAMINOHEPTANOIC ACIDA3C3G0.75
B3K(3S)-3,7-DIAMINOHEPTANOIC ACIDA,B,C2OXJ0.75
B3K(3S)-3,7-DIAMINOHEPTANOIC ACIDA,B,C,D3C3F0.75
B3K(3S)-3,7-DIAMINOHEPTANOIC ACIDA,B,C3HEZ0.75
B3K(3S)-3,7-DIAMINOHEPTANOIC ACIDA2OXK0.75
CIRCITRULLINEA,B,C,D1J210.7
CIRCITRULLINEB1KOD0.7
CIRCITRULLINEA,B,C3B3I0.7
CIRCITRULLINEC3DTX0.7
CIRCITRULLINEA2C6Z0.7
CIRCITRULLINEA,C,E,F2W650.7
CIRCITRULLINEA,B2JAI0.7
CIRCITRULLINEP3FT20.7
CIRCITRULLINEA,B,C,D1J1Z0.7
CIRCITRULLINEA,B1LXY0.7
CIRCITRULLINEF,H1OL10.7
CIRCITRULLINEA1KP30.7
CIRCITRULLINEA2NZ20.7
CIRCITRULLINEA1H700.7
CIRCITRULLINEA1K970.7
CIRCITRULLINEC3B6S0.7
DSGD-ASPARAGINEA,B2Q330.73
DSGD-ASPARAGINEA2IH00.73
DSGD-ASPARAGINEA2JUE0.73
DSGD-ASPARAGINEA1A850.73
DSGD-ASPARAGINEA1T5N0.73
DSGD-ASPARAGINEA2IGZ0.73
DSGD-ASPARAGINEA,B,C,D3BOG0.73
DSGD-ASPARAGINEA1T5M0.73
DSGD-ASPARAGINEA,B1HXB0.73
GMA4-AMIDO-4-CARBAMOYL-BUTYRIC ACIDA,B,C,D2APH0.87
GMA4-AMIDO-4-CARBAMOYL-BUTYRIC ACIDB2FCI0.87
GMA4-AMIDO-4-CARBAMOYL-BUTYRIC ACIDA1B9U0.87
GMA4-AMIDO-4-CARBAMOYL-BUTYRIC ACIDA,P1TWQ0.87
ILGGLUTAMYL GROUPA1EVC0.71
ILGGLUTAMYL GROUPA1XY50.71
ILGGLUTAMYL GROUPA1EVA0.71
ILGGLUTAMYL GROUPA1LCM0.71
ILGGLUTAMYL GROUPC,D2GSR0.71
ILGGLUTAMYL GROUPA1XY40.71
ILGGLUTAMYL GROUPA,B,C,D,E,F,
G,H		1AQX0.71
ILGGLUTAMYL GROUPA,B,C,D,E,F,
G,H		1AQW0.71
ILGGLUTAMYL GROUPA1EVB0.71
ILGGLUTAMYL GROUPA,B,C,D1I7Q0.71
ILGGLUTAMYL GROUPA,B1GAC0.71
ILGGLUTAMYL GROUPA1EVD0.71
ILGGLUTAMYL GROUPA,B,C,D1AQV0.71