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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03458508

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
MNL4,N-DIMETHYLNORLEUCINEC1CWC0.75
C5A(1S,3S)-1-aminocyclopentane-1,3-
dicarboxylic acid		A,B2E4W0.74
C5B(1S,3R)-1-AMINOCYCLOPENTANE-1,3-
DICARBOXYLIC ACID		A,B2E4X0.74
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
1921-AMINOCYCLOBUTANECARBOXLIC ACIDA1Y1Z0.76
NPI2-AMINOPIMELIC ACIDA2TDT0.7
NPI2-AMINOPIMELIC ACIDA1KGQ0.7
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDD1D5Z0.74
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDH,I5GDS0.74
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDH,P2A2X0.74
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDD,H2FEQ0.74
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDH,P2ANK0.74
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDA,C,D3DPP0.74
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDA1EB10.74
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDD,H1NZQ0.74
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDI1HBT0.74
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDD1D6E0.74
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDA,B1B3H0.74
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDD,H2FES0.74
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDC,D,E,G,H3DPQ0.74
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDI1THS0.74
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDI1QUR0.74
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDA,B,C,D3DPO0.74
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDH,I4THN0.74
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDA,D1D5M0.74
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDD,H1O0D0.74
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P		1YWH0.74
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDA1XRZ0.74
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDD1D5X0.74
XCP(1S,2S)-2-aminocyclopentanecarboxylic acidA3HF00.75
XCP(1S,2S)-2-aminocyclopentanecarboxylic acidA,B,D,E,F3FDM0.75
XCP(1S,2S)-2-aminocyclopentanecarboxylic acidA3C3H0.75
BIU5-bromo-L-isoleucineA3EDS0.71
1AC1-AMINOCYCLOPROPANECARBOXYLIC ACIDA,B,C,D1J0E0.71
1AC1-AMINOCYCLOPROPANECARBOXYLIC ACIDA1Y200.71
1AC1-AMINOCYCLOPROPANECARBOXYLIC ACIDA,B2RC90.71
1AC1-AMINOCYCLOPROPANECARBOXYLIC ACIDA,L,M3FEA0.71
1AC1-AMINOCYCLOPROPANECARBOXYLIC ACIDA,B,C,D1TZ20.71
1AC1-AMINOCYCLOPROPANECARBOXYLIC ACIDB2GV20.71
1AC1-AMINOCYCLOPROPANECARBOXYLIC ACIDL3FE70.71
CPC2-METHYL-1-METHYLAMINO-CYCLOPROPANE CARBOXYLIC ACIDC,D193D0.75
DLED-LEUCINEA,B1ALZ0.77
DLED-LEUCINEA,B1BDW0.77
DLED-LEUCINEA,D1CZQ0.77
DLED-LEUCINEA1BFW0.77
DLED-LEUCINEE,F,G,H1XN20.77
DLED-LEUCINEA,B,C,D1GMK0.77
DLED-LEUCINEA,B1TKQ0.77
DLED-LEUCINEA,B,C,H,K,L2R5D0.77
DLED-LEUCINEA2NPV0.77
DLED-LEUCINEA,B,C,D2R3C0.77
DLED-LEUCINEB,D,E1AFQ0.77
DLED-LEUCINEA,B1MIC0.77
DLED-LEUCINEA,B1NRU0.77
DLED-LEUCINEA,B1JNO0.77
DLED-LEUCINEA,B1GRM0.77
DLED-LEUCINEA,B1NRM0.77
DLED-LEUCINEA,D2Q3I0.77
DLED-LEUCINEA,B1NT50.77
DLED-LEUCINEA2JUE0.77
DLED-LEUCINEA,B,C,D1AV20.77
DLED-LEUCINEA1YY20.77
DLED-LEUCINEA,B1AL40.77
DLED-LEUCINEA,B1NG80.77
DLED-LEUCINEA,B1ALX0.77
DLED-LEUCINEA,B1JO40.77
DLED-LEUCINEA,B,C,H,K,L2R5B0.77
DLED-LEUCINEA,B1MAG0.77
DLED-LEUCINEA,B1NT60.77
DLED-LEUCINEA,B2Q330.77
DLED-LEUCINEA,B1JO30.77
DLED-LEUCINEE,I1BLL0.77
DLED-LEUCINEA,B1KQE0.77
DLED-LEUCINEA,B,C,D1W5U0.77
DLED-LEUCINEA,B,C,D2IZQ0.77
DLED-LEUCINEA1C4B0.77
DLED-LEUCINEA,B,C,D1C4D0.77
ZAL3-cyclohexyl-D-alanineI1HBT0.74
MCP2-CARBOXY-4-METHYLPIPERIDINEH1ETR0.73
AB52(S)-AMINO-6-BORONOHEXANOIC ACIDA,B2AEB0.73
LEF(4S)-5-FLUORO-L-LEUCINEA1OGW0.75
ABH2(S)-AMINO-6-BORONOHEXANOIC ACIDA,B1D3V0.74
ABH2(S)-AMINO-6-BORONOHEXANOIC ACIDA,B2PLL0.74
ABH2(S)-AMINO-6-BORONOHEXANOIC ACIDA,B3E6K0.74
ABH2(S)-AMINO-6-BORONOHEXANOIC ACIDA,B3E6V0.74
ZDP(2S,6S)-2,6-DIAMINO-2-METHYLHEPTANEDIOIC ACIDA,B,C,D,E,F3EJX0.74
ZDP(2S,6S)-2,6-DIAMINO-2-METHYLHEPTANEDIOIC ACIDA2GKE0.74
2ML2-METHYLLEUCINEA,B,C1I1L0.86
2ML2-METHYLLEUCINEA2RM90.86
2ML2-METHYLLEUCINEA2RMD0.86
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
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
DILD-ISOLEUCINEA,B2Q330.77
DILD-ISOLEUCINEA1CWZ0.77
DILD-ISOLEUCINEA1CVQ0.77
DILD-ISOLEUCINEA1C4B0.77
DILD-ISOLEUCINEA1CW80.77
DILD-ISOLEUCINEA2AP80.77
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
ZDR(2R,6S)-2,6-DIAMINO-2-METHYLHEPTANEDIOIC ACIDA,B,C,D,E,F3EKM0.74
ZDR(2R,6S)-2,6-DIAMINO-2-METHYLHEPTANEDIOIC ACIDA2GKJ0.74
CHGCYCLOHEXYL-GLYCINE2,3,48KME0.75
CHGCYCLOHEXYL-GLYCINEH,I4THN0.75
CHGCYCLOHEXYL-GLYCINEH,I,J7KME0.75
CHGCYCLOHEXYL-GLYCINEH,I5GDS0.75
IILISO-ISOLEUCINEA,B,C,D1Q4V0.77
IILISO-ISOLEUCINEA1KMF0.77
IILISO-ISOLEUCINEA,B,C1TGG0.77
IILISO-ISOLEUCINEA1RH40.77
DIVD-ISOVALINEA1IH90.73
DIVD-ISOVALINEA1DLZ0.73
DIVD-ISOVALINEA1OB40.73
DIVD-ISOVALINEA,B1JOH0.73
DIVD-ISOVALINEA1EE70.73
DIVD-ISOVALINEA,B1OB60.73
DIVD-ISOVALINEA1GQ00.73
DIVD-ISOVALINEA1OB70.73
DIVD-ISOVALINEA1R9U0.73
AMHTRANS-4-AMINOMETHYLCYCLOHEXANE-
1-CARBOXYLIC ACID		A,B1CEB0.71
AMHTRANS-4-AMINOMETHYLCYCLOHEXANE-
1-CARBOXYLIC ACID		A1B2I0.71
DNED-NORLEUCINEA1R9V0.77
DNED-NORLEUCINEA,B1S4A0.77
DNED-NORLEUCINEA,B1S1O0.77
2CG(1R,2R)-3-[(S)-amino(carboxy)methyl]cyclopropane-
1,2-dicarboxylic acid		A,B2E4V0.71
AHP2-AMINO-HEPTANOIC ACIDD1J4X0.73
GAMALPHA-METHYL-L-GLUTAMIC ACIDA,B1BJO0.75
B3L(3S)-3-amino-5-methylhexanoic acidA3C3H0.75
B3L(3S)-3-amino-5-methylhexanoic acidA3C3G0.75
B3L(3S)-3-amino-5-methylhexanoic acidA,B,C,D3C3F0.75
B3L(3S)-3-amino-5-methylhexanoic acidA,B,C3HEZ0.75
B3L(3S)-3-amino-5-methylhexanoic acidA,B,D,E,F3FDM0.75
NLENORLEUCINEA1MMT0.77
NLENORLEUCINEA,B1JB60.77
NLENORLEUCINEC1K2B0.77
NLENORLEUCINEA,B,C2AVQ0.77
NLENORLEUCINEC,D,I,L1R1L0.77
NLENORLEUCINEE,S2RLN0.77
NLENORLEUCINEE,S1Z3L0.77
NLENORLEUCINEA,B,C2AOD0.77
NLENORLEUCINEA,B,C2J9J0.77
NLENORLEUCINEA,B,I4HVP0.77
NLENORLEUCINEA,B,C2AVM0.77
NLENORLEUCINEB,C1K1T0.77
NLENORLEUCINEA,B,C2AOC0.77
NLENORLEUCINEA,B,C2JE40.77
NLENORLEUCINEA,B,I3DCK0.77
NLENORLEUCINEB1EOL0.77
NLENORLEUCINEA1FF00.77
NLENORLEUCINEA1FG60.77
NLENORLEUCINEA1FGC0.77
NLENORLEUCINEE,S1Z3M0.77
NLENORLEUCINEA2RME0.77
NLENORLEUCINEB1FGL0.77
NLENORLEUCINEC1K1U0.77
NLENORLEUCINEA,B1B7H0.77
NLENORLEUCINEA1HTH0.77
NLENORLEUCINEA,B,D2J9K0.77
NLENORLEUCINEA2RMD0.77
NLENORLEUCINEA,B,C2AOG0.77
NLENORLEUCINEA2RMI0.77
NLENORLEUCINEI1EPO0.77
NLENORLEUCINEA1FFI0.77
NLENORLEUCINEA1HD90.77
NLENORLEUCINEA1FFF0.77
NLENORLEUCINEB2JND0.77
NLENORLEUCINEA1FEJ0.77
NLENORLEUCINEA2K9E0.77
NLENORLEUCINEC1CFN0.77
NLENORLEUCINEC1K2C0.77
NLENORLEUCINEA1WY40.77
NLENORLEUCINEA1FQ80.77
NLENORLEUCINEA,B1S1O0.77
NLENORLEUCINEA2F4K0.77
NLENORLEUCINEA,B1D5E0.77
NLENORLEUCINEA2JX40.77
NLENORLEUCINEA1FG80.77
NLENORLEUCINEA1WY30.77
NLENORLEUCINEI1YTJ0.77
NLENORLEUCINEA,B,I3DCR0.77
NLENORLEUCINEA,I2O400.77
NLENORLEUCINEA,B2GYP0.77
NLENORLEUCINEC,F1A8K0.77
NLENORLEUCINEC1BAI0.77
NLENORLEUCINEA,B2JT90.77
NLENORLEUCINEA2RM90.77
NLENORLEUCINEA,B1DAZ0.77
NLENORLEUCINEA1F3R0.77
NLENORLEUCINEA,I2JXR0.77
NLENORLEUCINEC,F1A940.77
NLENORLEUCINEA,B1S4A0.77
NLENORLEUCINEA1R9V0.77
NLENORLEUCINEA,B,C,D,E,F2Z2T0.77
AC51-AMINOCYCLOPENTANECARBOXYLIC ACIDA,B1Y1M0.88