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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01080417

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
AB52(S)-AMINO-6-BORONOHEXANOIC ACIDA,B2AEB0.78
KAP7-KETO-8-AMINOPELARGONIC ACIDA,B1QJ30.72
KAP7-KETO-8-AMINOPELARGONIC ACIDA,B,C,D3FMI0.72
KAP7-KETO-8-AMINOPELARGONIC ACIDA,B3DU40.72
DNED-NORLEUCINEA1R9V0.79
DNED-NORLEUCINEA,B1S4A0.79
DNED-NORLEUCINEA,B1S1O0.79
DNMN-METHYL-D-NORLEUCINEA,B1S1O0.7
DNMN-METHYL-D-NORLEUCINEA,B1S4A0.7
DNMN-METHYL-D-NORLEUCINEA1R9V0.7
DOA12-AMINO-DODECANOIC ACIDB1EOJ0.78
DOA12-AMINO-DODECANOIC ACIDA,D1H8T0.78
DOA12-AMINO-DODECANOIC ACIDA2DCX0.78
DOA12-AMINO-DODECANOIC ACIDB1EOL0.78
LDO6-HYDROXY-L-NORLEUCINEA,B,C,D1JSR0.73
DNN7,8-DIAMINO-NONANOIC ACIDA1DAH0.74
DNN7,8-DIAMINO-NONANOIC ACIDA1A820.74
DLYD-LYSINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
1YWH0.76
DLYD-LYSINEA1C4B0.76
DLYD-LYSINEA,B,C,D3BOG0.76
DLYD-LYSINEA1KO00.76
DLYD-LYSINEA,B,C,D3C1P0.76
DLYD-LYSINEA,B,C,H,K,L2R5D0.76
DLYD-LYSINEA,B,C,D2R3C0.76
DLYD-LYSINEA,B,C,H,K,L2R5B0.76
DLYD-LYSINEA,B2Q330.76
DLYD-LYSINEA,B2ATS0.76
DLYD-LYSINEA1RCQ0.76
ACA6-AMINOHEXANOIC ACIDA,B2JT90.84
ACA6-AMINOHEXANOIC ACIDA,B1CEA0.84
ACA6-AMINOHEXANOIC ACIDC1ILP0.84
ACA6-AMINOHEXANOIC ACIDA2PK40.84
ACA6-AMINOHEXANOIC ACID1,2,4,5,A,B,
C,D,E,J,K,L,
M,N,O,P,R,S,
T,U,V,Z
1M900.84
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
1VQ60.84
ACA6-AMINOHEXANOIC ACID0,2,4,9,A,B,
C,H,I,J,K,L,
M,N,P,Q,R,S,
T,X,Y,Z
1KQS0.84
ACA6-AMINOHEXANOIC ACIDA1PK20.84
ACA6-AMINOHEXANOIC ACIDA2ZM70.84
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
3CMA0.84
ACA6-AMINOHEXANOIC ACIDC1ILQ0.84
ACA6-AMINOHEXANOIC ACIDA2ZM80.84
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
1VQK0.84
ACA6-AMINOHEXANOIC ACIDA2DCF0.84
ACA6-AMINOHEXANOIC ACIDA1HPK0.84
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
1VQ80.84
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
3CME0.84
ACA6-AMINOHEXANOIC ACIDA2ZM90.84
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
1VQN0.84
ACA6-AMINOHEXANOIC ACIDA2ZMA0.84
ACA6-AMINOHEXANOIC ACIDA3KIV0.84
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
1VQ90.84
GVEMETHYL 4-AMINOBUTANOATEA,B,C,D2J7Q0.77
GVEMETHYL 4-AMINOBUTANOATEA,B,C,D1XD30.77
ABH2(S)-AMINO-6-BORONOHEXANOIC ACIDA,B1D3V0.76
ABH2(S)-AMINO-6-BORONOHEXANOIC ACIDA,B2PLL0.76
ABH2(S)-AMINO-6-BORONOHEXANOIC ACIDA,B3E6K0.76
ABH2(S)-AMINO-6-BORONOHEXANOIC ACIDA,B3E6V0.76
HHK(2S)-2,8-DIAMINOOCTANOIC ACIDA1XY80.7
B3K(3S)-3,7-DIAMINOHEPTANOIC ACIDA3C3G0.73
B3K(3S)-3,7-DIAMINOHEPTANOIC ACIDA,B,C2OXJ0.73
B3K(3S)-3,7-DIAMINOHEPTANOIC ACIDA,B,C,D3C3F0.73
B3K(3S)-3,7-DIAMINOHEPTANOIC ACIDA,B,C3HEZ0.73
B3K(3S)-3,7-DIAMINOHEPTANOIC ACIDA2OXK0.73
DO22-AMINO-6-OXO-HEXANOIC ACIDA,B1DJP0.72
DAVDELTA-AMINO VALERIC ACIDA1H7O0.74
DAVDELTA-AMINO VALERIC ACIDA7JDW0.74
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
AHP2-AMINO-HEPTANOIC ACIDD1J4X0.75
B3Q(3S)-3,6-diamino-6-oxohexanoic acidA,B,C3HEZ0.71
B3Q(3S)-3,6-diamino-6-oxohexanoic acidA3C3G0.71
LDHN~6~-ETHYL-L-LYSINEA,K2IOF0.71
DDO6-HYDROXY-D-NORLEUCINEA,B,C,D1JSL0.73