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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00815292

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
AHP2-AMINO-HEPTANOIC ACIDD1J4X0.81
AMHTRANS-4-AMINOMETHYLCYCLOHEXANE-
1-CARBOXYLIC ACID		A,B1CEB0.72
AMHTRANS-4-AMINOMETHYLCYCLOHEXANE-
1-CARBOXYLIC ACID		A1B2I0.72
B3K(3S)-3,7-DIAMINOHEPTANOIC ACIDA3C3G0.83
B3K(3S)-3,7-DIAMINOHEPTANOIC ACIDA,B,C2OXJ0.83
B3K(3S)-3,7-DIAMINOHEPTANOIC ACIDA,B,C,D3C3F0.83
B3K(3S)-3,7-DIAMINOHEPTANOIC ACIDA,B,C3HEZ0.83
B3K(3S)-3,7-DIAMINOHEPTANOIC ACIDA2OXK0.83
ABH2(S)-AMINO-6-BORONOHEXANOIC ACIDA,B1D3V0.78
ABH2(S)-AMINO-6-BORONOHEXANOIC ACIDA,B2PLL0.78
ABH2(S)-AMINO-6-BORONOHEXANOIC ACIDA,B3E6K0.78
ABH2(S)-AMINO-6-BORONOHEXANOIC ACIDA,B3E6V0.78
B3E(3S)-3-AMINOHEXANEDIOIC ACIDA3C3G0.74
B3E(3S)-3-AMINOHEXANEDIOIC ACIDA2OXK0.74
B3E(3S)-3-AMINOHEXANEDIOIC ACIDA,B,C,D3C3F0.74
B3E(3S)-3-AMINOHEXANEDIOIC ACIDA,B,C3HEZ0.74
B3E(3S)-3-AMINOHEXANEDIOIC ACIDA,B,C2OXJ0.74
26P2-AMINO-6-OXOPIMELIC ACIDA3TDT0.75
DHH(S)-2-AMINO-7,7-DIHYDROXYHEPTANOIC ACIDA,B,C1T5F0.77
CHGCYCLOHEXYL-GLYCINE2,3,48KME0.76
CHGCYCLOHEXYL-GLYCINEH,I4THN0.76
CHGCYCLOHEXYL-GLYCINEH,I,J7KME0.76
CHGCYCLOHEXYL-GLYCINEH,I5GDS0.76
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDD1D5Z0.78
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDH,I5GDS0.78
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDH,P2A2X0.78
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDD,H2FEQ0.78
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDH,P2ANK0.78
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDA,C,D3DPP0.78
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDA1EB10.78
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDD,H1NZQ0.78
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDI1HBT0.78
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDD1D6E0.78
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDA,B1B3H0.78
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDD,H2FES0.78
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDC,D,E,G,H3DPQ0.78
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDI1THS0.78
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDI1QUR0.78
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDA,B,C,D3DPO0.78
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDH,I4THN0.78
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDA,D1D5M0.78
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDD,H1O0D0.78
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P		1YWH0.78
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDA1XRZ0.78
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDD1D5X0.78
DNN7,8-DIAMINO-NONANOIC ACIDA1DAH0.87
DNN7,8-DIAMINO-NONANOIC ACIDA1A820.87
ACA6-AMINOHEXANOIC ACIDA,B2JT90.76
ACA6-AMINOHEXANOIC ACIDA,B1CEA0.76
ACA6-AMINOHEXANOIC ACIDC1ILP0.76
ACA6-AMINOHEXANOIC ACIDA2PK40.76
ACA6-AMINOHEXANOIC ACID1,2,4,5,A,B,
C,D,E,J,K,L,
M,N,O,P,R,S,
T,U,V,Z		1M900.76
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		1VQ60.76
ACA6-AMINOHEXANOIC ACID0,2,4,9,A,B,
C,H,I,J,K,L,
M,N,P,Q,R,S,
T,X,Y,Z		1KQS0.76
ACA6-AMINOHEXANOIC ACIDA1PK20.76
ACA6-AMINOHEXANOIC ACIDA2ZM70.76
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		3CMA0.76
ACA6-AMINOHEXANOIC ACIDC1ILQ0.76
ACA6-AMINOHEXANOIC ACIDA2ZM80.76
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		1VQK0.76
ACA6-AMINOHEXANOIC ACIDA2DCF0.76
ACA6-AMINOHEXANOIC ACIDA1HPK0.76
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		1VQ80.76
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		3CME0.76
ACA6-AMINOHEXANOIC ACIDA2ZM90.76
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		1VQN0.76
ACA6-AMINOHEXANOIC ACIDA2ZMA0.76
ACA6-AMINOHEXANOIC ACIDA3KIV0.76
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		1VQ90.76
DAA8-AMINO-7-CARBOXYAMINO-NONANOIC ACID WITH ALUMINUM FLUORIDEA1BS10.73
DLYD-LYSINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P		1YWH0.75
DLYD-LYSINEA1C4B0.75
DLYD-LYSINEA,B,C,D3BOG0.75
DLYD-LYSINEA1KO00.75
DLYD-LYSINEA,B,C,D3C1P0.75
DLYD-LYSINEA,B,C,H,K,L2R5D0.75
DLYD-LYSINEA,B,C,D2R3C0.75
DLYD-LYSINEA,B,C,H,K,L2R5B0.75
DLYD-LYSINEA,B2Q330.75
DLYD-LYSINEA,B2ATS0.75
DLYD-LYSINEA1RCQ0.75
6CL6-CARBOXYLYSINEU2AIZ0.83
API2,6-DIAMINOPIMELIC ACIDA,B1E8C0.83
API2,6-DIAMINOPIMELIC ACIDA2DAP0.83
API2,6-DIAMINOPIMELIC ACIDE,S148L0.83
AB52(S)-AMINO-6-BORONOHEXANOIC ACIDA,B2AEB0.8
DOA12-AMINO-DODECANOIC ACIDB1EOJ0.88
DOA12-AMINO-DODECANOIC ACIDA,D1H8T0.88
DOA12-AMINO-DODECANOIC ACIDA2DCX0.88
DOA12-AMINO-DODECANOIC ACIDB1EOL0.88
DNED-NORLEUCINEA1R9V0.75
DNED-NORLEUCINEA,B1S4A0.75
DNED-NORLEUCINEA,B1S1O0.75
B3Q(3S)-3,6-diamino-6-oxohexanoic acidA,B,C3HEZ0.71
B3Q(3S)-3,6-diamino-6-oxohexanoic acidA3C3G0.71
AHY(2S,3R)-3-AMINO-2-HYDROXYDECANOIC ACIDA,D2J9A0.73