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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01787039

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
B3K(3S)-3,7-DIAMINOHEPTANOIC ACIDA3C3G0.8
B3K(3S)-3,7-DIAMINOHEPTANOIC ACIDA,B,C2OXJ0.8
B3K(3S)-3,7-DIAMINOHEPTANOIC ACIDA,B,C,D3C3F0.8
B3K(3S)-3,7-DIAMINOHEPTANOIC ACIDA,B,C3HEZ0.8
B3K(3S)-3,7-DIAMINOHEPTANOIC ACIDA2OXK0.8
DNED-NORLEUCINEA1R9V0.79
DNED-NORLEUCINEA,B1S4A0.79
DNED-NORLEUCINEA,B1S1O0.79
DAA8-AMINO-7-CARBOXYAMINO-NONANOIC ACID WITH ALUMINUM FLUORIDEA1BS10.71
6HN6-nitro-L-norleucineA,B3F800.71
DLYD-LYSINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P		1YWH0.79
DLYD-LYSINEA1C4B0.79
DLYD-LYSINEA,B,C,D3BOG0.79
DLYD-LYSINEA1KO00.79
DLYD-LYSINEA,B,C,D3C1P0.79
DLYD-LYSINEA,B,C,H,K,L2R5D0.79
DLYD-LYSINEA,B,C,D2R3C0.79
DLYD-LYSINEA,B,C,H,K,L2R5B0.79
DLYD-LYSINEA,B2Q330.79
DLYD-LYSINEA,B2ATS0.79
DLYD-LYSINEA1RCQ0.79
ACA6-AMINOHEXANOIC ACIDA,B2JT90.73
ACA6-AMINOHEXANOIC ACIDA,B1CEA0.73
ACA6-AMINOHEXANOIC ACIDC1ILP0.73
ACA6-AMINOHEXANOIC ACIDA2PK40.73
ACA6-AMINOHEXANOIC ACID1,2,4,5,A,B,
C,D,E,J,K,L,
M,N,O,P,R,S,
T,U,V,Z		1M900.73
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		1VQ60.73
ACA6-AMINOHEXANOIC ACID0,2,4,9,A,B,
C,H,I,J,K,L,
M,N,P,Q,R,S,
T,X,Y,Z		1KQS0.73
ACA6-AMINOHEXANOIC ACIDA1PK20.73
ACA6-AMINOHEXANOIC ACIDA2ZM70.73
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		3CMA0.73
ACA6-AMINOHEXANOIC ACIDC1ILQ0.73
ACA6-AMINOHEXANOIC ACIDA2ZM80.73
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		1VQK0.73
ACA6-AMINOHEXANOIC ACIDA2DCF0.73
ACA6-AMINOHEXANOIC ACIDA1HPK0.73
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		1VQ80.73
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		3CME0.73
ACA6-AMINOHEXANOIC ACIDA2ZM90.73
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		1VQN0.73
ACA6-AMINOHEXANOIC ACIDA2ZMA0.73
ACA6-AMINOHEXANOIC ACIDA3KIV0.73
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		1VQ90.73
CHGCYCLOHEXYL-GLYCINE2,3,48KME0.79
CHGCYCLOHEXYL-GLYCINEH,I4THN0.79
CHGCYCLOHEXYL-GLYCINEH,I,J7KME0.79
CHGCYCLOHEXYL-GLYCINEH,I5GDS0.79
AB52(S)-AMINO-6-BORONOHEXANOIC ACIDA,B2AEB0.84
2NPL-2-AMINO-6-METHYLENE-PIMELIC ACIDA,B1F060.72
DHH(S)-2-AMINO-7,7-DIHYDROXYHEPTANOIC ACIDA,B,C1T5F0.8
API2,6-DIAMINOPIMELIC ACIDA,B1E8C0.87
API2,6-DIAMINOPIMELIC ACIDA2DAP0.87
API2,6-DIAMINOPIMELIC ACIDE,S148L0.87
DNMN-METHYL-D-NORLEUCINEA,B1S1O0.71
DNMN-METHYL-D-NORLEUCINEA,B1S4A0.71
DNMN-METHYL-D-NORLEUCINEA1R9V0.71
6CL6-CARBOXYLYSINEU2AIZ0.87
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDD1D5Z0.81
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDH,I5GDS0.81
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDH,P2A2X0.81
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDD,H2FEQ0.81
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDH,P2ANK0.81
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDA,C,D3DPP0.81
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDA1EB10.81
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDD,H1NZQ0.81
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDI1HBT0.81
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDD1D6E0.81
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDA,B1B3H0.81
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDD,H2FES0.81
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDC,D,E,G,H3DPQ0.81
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDI1THS0.81
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDI1QUR0.81
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDA,B,C,D3DPO0.81
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDH,I4THN0.81
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDA,D1D5M0.81
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDD,H1O0D0.81
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P		1YWH0.81
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDA1XRZ0.81
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDD1D5X0.81
AHP2-AMINO-HEPTANOIC ACIDD1J4X0.85
B3E(3S)-3-AMINOHEXANEDIOIC ACIDA3C3G0.71
B3E(3S)-3-AMINOHEXANEDIOIC ACIDA2OXK0.71
B3E(3S)-3-AMINOHEXANEDIOIC ACIDA,B,C,D3C3F0.71
B3E(3S)-3-AMINOHEXANEDIOIC ACIDA,B,C3HEZ0.71
B3E(3S)-3-AMINOHEXANEDIOIC ACIDA,B,C2OXJ0.71
26P2-AMINO-6-OXOPIMELIC ACIDA3TDT0.79
ABH2(S)-AMINO-6-BORONOHEXANOIC ACIDA,B1D3V0.82
ABH2(S)-AMINO-6-BORONOHEXANOIC ACIDA,B2PLL0.82
ABH2(S)-AMINO-6-BORONOHEXANOIC ACIDA,B3E6K0.82
ABH2(S)-AMINO-6-BORONOHEXANOIC ACIDA,B3E6V0.82
AHY(2S,3R)-3-AMINO-2-HYDROXYDECANOIC ACIDA,D2J9A0.73
DDO6-HYDROXY-D-NORLEUCINEA,B,C,D1JSL0.73