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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02813777

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
DNED-NORLEUCINEA1R9V0.81
DNED-NORLEUCINEA,B1S4A0.81
DNED-NORLEUCINEA,B1S1O0.81
B3A(3S)-3-AMINOBUTANOIC ACIDA,B,C2OXJ0.72
B3A(3S)-3-AMINOBUTANOIC ACIDA,B,C3HEZ0.72
B3A(3S)-3-AMINOBUTANOIC ACIDA2OXK0.72
B3X(3S)-3,5-DIAMINO-5-OXOPENTANOIC ACIDA,B,C2OXJ0.75
B3X(3S)-3,5-DIAMINO-5-OXOPENTANOIC ACIDA2OXK0.75
BIL(3R,4S)-3-amino-4-methylhexanoic acidA,B,C3HEZ0.78
BIL(3R,4S)-3-amino-4-methylhexanoic acidA,B,C,D3C3F0.78
BIL(3R,4S)-3-amino-4-methylhexanoic acidA3HF00.78
BIL(3R,4S)-3-amino-4-methylhexanoic acidA3C3G0.78
AHP2-AMINO-HEPTANOIC ACIDD1J4X0.76
6CL6-CARBOXYLYSINEU2AIZ0.78
API2,6-DIAMINOPIMELIC ACIDA,B1E8C0.78
API2,6-DIAMINOPIMELIC ACIDA2DAP0.78
API2,6-DIAMINOPIMELIC ACIDE,S148L0.78
ABH2(S)-AMINO-6-BORONOHEXANOIC ACIDA,B1D3V0.81
ABH2(S)-AMINO-6-BORONOHEXANOIC ACIDA,B2PLL0.81
ABH2(S)-AMINO-6-BORONOHEXANOIC ACIDA,B3E6K0.81
ABH2(S)-AMINO-6-BORONOHEXANOIC ACIDA,B3E6V0.81
B3L(3S)-3-amino-5-methylhexanoic acidA3C3H0.78
B3L(3S)-3-amino-5-methylhexanoic acidA3C3G0.78
B3L(3S)-3-amino-5-methylhexanoic acidA,B,C,D3C3F0.78
B3L(3S)-3-amino-5-methylhexanoic acidA,B,C3HEZ0.78
B3L(3S)-3-amino-5-methylhexanoic acidA,B,D,E,F3FDM0.78
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
6HN6-nitro-L-norleucineA,B3F800.73
B3E(3S)-3-AMINOHEXANEDIOIC ACIDA3C3G0.83
B3E(3S)-3-AMINOHEXANEDIOIC ACIDA2OXK0.83
B3E(3S)-3-AMINOHEXANEDIOIC ACIDA,B,C,D3C3F0.83
B3E(3S)-3-AMINOHEXANEDIOIC ACIDA,B,C3HEZ0.83
B3E(3S)-3-AMINOHEXANEDIOIC ACIDA,B,C2OXJ0.83
DLYD-LYSINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
1YWH0.85
DLYD-LYSINEA1C4B0.85
DLYD-LYSINEA,B,C,D3BOG0.85
DLYD-LYSINEA1KO00.85
DLYD-LYSINEA,B,C,D3C1P0.85
DLYD-LYSINEA,B,C,H,K,L2R5D0.85
DLYD-LYSINEA,B,C,D2R3C0.85
DLYD-LYSINEA,B,C,H,K,L2R5B0.85
DLYD-LYSINEA,B2Q330.85
DLYD-LYSINEA,B2ATS0.85
DLYD-LYSINEA1RCQ0.85
AB52(S)-AMINO-6-BORONOHEXANOIC ACIDA,B2AEB0.8
DDO6-HYDROXY-D-NORLEUCINEA,B,C,D1JSL0.75
B3D3-AMINOPENTANEDIOIC ACIDA,B,C2OXJ0.73
B3D3-AMINOPENTANEDIOIC ACIDA,B,C,D3C3F0.73
B3D3-AMINOPENTANEDIOIC ACIDA2OXK0.73
B3D3-AMINOPENTANEDIOIC ACIDA3C3G0.73
B3D3-AMINOPENTANEDIOIC ACIDA3C3H0.73
B3K(3S)-3,7-DIAMINOHEPTANOIC ACIDA3C3G0.86
B3K(3S)-3,7-DIAMINOHEPTANOIC ACIDA,B,C2OXJ0.86
B3K(3S)-3,7-DIAMINOHEPTANOIC ACIDA,B,C,D3C3F0.86
B3K(3S)-3,7-DIAMINOHEPTANOIC ACIDA,B,C3HEZ0.86
B3K(3S)-3,7-DIAMINOHEPTANOIC ACIDA2OXK0.86
ACA6-AMINOHEXANOIC ACIDA,B2JT90.82
ACA6-AMINOHEXANOIC ACIDA,B1CEA0.82
ACA6-AMINOHEXANOIC ACIDC1ILP0.82
ACA6-AMINOHEXANOIC ACIDA2PK40.82
ACA6-AMINOHEXANOIC ACID1,2,4,5,A,B,
C,D,E,J,K,L,
M,N,O,P,R,S,
T,U,V,Z
1M900.82
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
1VQ60.82
ACA6-AMINOHEXANOIC ACID0,2,4,9,A,B,
C,H,I,J,K,L,
M,N,P,Q,R,S,
T,X,Y,Z
1KQS0.82
ACA6-AMINOHEXANOIC ACIDA1PK20.82
ACA6-AMINOHEXANOIC ACIDA2ZM70.82
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
3CMA0.82
ACA6-AMINOHEXANOIC ACIDC1ILQ0.82
ACA6-AMINOHEXANOIC ACIDA2ZM80.82
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
1VQK0.82
ACA6-AMINOHEXANOIC ACIDA2DCF0.82
ACA6-AMINOHEXANOIC ACIDA1HPK0.82
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
1VQ80.82
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
3CME0.82
ACA6-AMINOHEXANOIC ACIDA2ZM90.82
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
1VQN0.82
ACA6-AMINOHEXANOIC ACIDA2ZMA0.82
ACA6-AMINOHEXANOIC ACIDA3KIV0.82
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
1VQ90.82
DAVDELTA-AMINO VALERIC ACIDA1H7O0.72
DAVDELTA-AMINO VALERIC ACIDA7JDW0.72
B3Q(3S)-3,6-diamino-6-oxohexanoic acidA,B,C3HEZ0.88
B3Q(3S)-3,6-diamino-6-oxohexanoic acidA3C3G0.88