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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00016680

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
ZAL3-cyclohexyl-D-alanineI1HBT0.72
B3L(3S)-3-amino-5-methylhexanoic acidA3C3H0.76
B3L(3S)-3-amino-5-methylhexanoic acidA3C3G0.76
B3L(3S)-3-amino-5-methylhexanoic acidA,B,C,D3C3F0.76
B3L(3S)-3-amino-5-methylhexanoic acidA,B,C3HEZ0.76
B3L(3S)-3-amino-5-methylhexanoic acidA,B,D,E,F3FDM0.76
LEF(4S)-5-FLUORO-L-LEUCINEA1OGW0.7
NLK(2R,5S)-5-amino-2-butyl-4-oxononanoic acidA,B,I3DCK0.75
ABH2(S)-AMINO-6-BORONOHEXANOIC ACIDA,B1D3V0.72
ABH2(S)-AMINO-6-BORONOHEXANOIC ACIDA,B2PLL0.72
ABH2(S)-AMINO-6-BORONOHEXANOIC ACIDA,B3E6K0.72
ABH2(S)-AMINO-6-BORONOHEXANOIC ACIDA,B3E6V0.72
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
ORNORNITHINEE1LAH0.71
ORNORNITHINEB,C,E,F,H,I,
K,L		1JDB0.71
ORNORNITHINEA,Y1TK20.71
ORNORNITHINEA,B,C2W6U0.71
ORNORNITHINEA1T5M0.71
ORNORNITHINEA,B,C,D,E,G,H1BXR0.71
ORNORNITHINEA,B,C,D,E,F,
G,H		1KEE0.71
ORNORNITHINEA,B,C1HQG0.71
ORNORNITHINEA,B,C2W6T0.71
ORNORNITHINEA,B1X7D0.71
ORNORNITHINEA1T5N0.71
ORNORNITHINEA,B,C,D,E,F,
G,H		1CE80.71
ORNORNITHINEA1DSR0.71
ORNORNITHINEA,B,C,D,E,F,
G,H		1A9X0.71
ORNORNITHINEH,K,L,M,P,R1N0X0.71
ORNORNITHINEA,B2PM50.71
ORNORNITHINEA,B,C,D,E,F,
G,H		1CS00.71
ORNORNITHINEE,I1QR30.71
ORNORNITHINEA1HTH0.71
ORNORNITHINEA,B,C,D,E,F,
G,H		1M6V0.71
ORNORNITHINEA,B,C,D,E,F,
G,H		1C3O0.71
ORNORNITHINEA,B,C,D,E,F,
G,H		1C300.71
ORNORNITHINEA1XT70.71
ORNORNITHINEA3JDW0.71
ORNORNITHINEA,B,C,D,E,F,
G,H		1T360.71
ORNORNITHINEA,B1B2H0.71
ORNORNITHINEA,B,C,D,E,F4CEV0.71
DLED-LEUCINEA,B1ALZ0.72
DLED-LEUCINEA,B1BDW0.72
DLED-LEUCINEA,D1CZQ0.72
DLED-LEUCINEA1BFW0.72
DLED-LEUCINEE,F,G,H1XN20.72
DLED-LEUCINEA,B,C,D1GMK0.72
DLED-LEUCINEA,B1TKQ0.72
DLED-LEUCINEA,B,C,H,K,L2R5D0.72
DLED-LEUCINEA2NPV0.72
DLED-LEUCINEA,B,C,D2R3C0.72
DLED-LEUCINEB,D,E1AFQ0.72
DLED-LEUCINEA,B1MIC0.72
DLED-LEUCINEA,B1NRU0.72
DLED-LEUCINEA,B1JNO0.72
DLED-LEUCINEA,B1GRM0.72
DLED-LEUCINEA,B1NRM0.72
DLED-LEUCINEA,D2Q3I0.72
DLED-LEUCINEA,B1NT50.72
DLED-LEUCINEA2JUE0.72
DLED-LEUCINEA,B,C,D1AV20.72
DLED-LEUCINEA1YY20.72
DLED-LEUCINEA,B1AL40.72
DLED-LEUCINEA,B1NG80.72
DLED-LEUCINEA,B1ALX0.72
DLED-LEUCINEA,B1JO40.72
DLED-LEUCINEA,B,C,H,K,L2R5B0.72
DLED-LEUCINEA,B1MAG0.72
DLED-LEUCINEA,B1NT60.72
DLED-LEUCINEA,B2Q330.72
DLED-LEUCINEA,B1JO30.72
DLED-LEUCINEE,I1BLL0.72
DLED-LEUCINEA,B1KQE0.72
DLED-LEUCINEA,B,C,D1W5U0.72
DLED-LEUCINEA,B,C,D2IZQ0.72
DLED-LEUCINEA1C4B0.72
DLED-LEUCINEA,B,C,D1C4D0.72
LME(3R)-3-METHYL-L-GLUTAMIC ACIDA1XT70.71
DAVDELTA-AMINO VALERIC ACIDA1H7O0.71
DAVDELTA-AMINO VALERIC ACIDA7JDW0.71
NLH(2R,5S)-5-amino-2-butyl-4,4-dihydroxynonanoic acidA,B,I3DCR0.75
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
LDO6-HYDROXY-L-NORLEUCINEA,B,C,D1JSR0.73
HOZ(4S)-4,5-DIAMINOPENTANOIC ACIDA,B2HOZ0.75
HOZ(4S)-4,5-DIAMINOPENTANOIC ACIDA,B2HP20.75
HOZ(4S)-4,5-DIAMINOPENTANOIC ACIDA,B2HP10.75
B3Q(3S)-3,6-diamino-6-oxohexanoic acidA,B,C3HEZ0.72
B3Q(3S)-3,6-diamino-6-oxohexanoic acidA3C3G0.72
LOV5-AMINO-4-HYDROXY-2-ISOPROPYL-7-
METHYL-OCTANOIC ACID		A,B1OEX0.71
LOV5-AMINO-4-HYDROXY-2-ISOPROPYL-7-
METHYL-OCTANOIC ACID		A,B,I8HVP0.71
LOV5-AMINO-4-HYDROXY-2-ISOPROPYL-7-
METHYL-OCTANOIC ACID		A,B1GKT0.71
LOV5-AMINO-4-HYDROXY-2-ISOPROPYL-7-
METHYL-OCTANOIC ACID		E,I2ER70.71
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDD1D5Z0.72
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDH,I5GDS0.72
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDH,P2A2X0.72
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDD,H2FEQ0.72
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDH,P2ANK0.72
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDA,C,D3DPP0.72
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDA1EB10.72
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDD,H1NZQ0.72
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDI1HBT0.72
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDD1D6E0.72
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDA,B1B3H0.72
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDD,H2FES0.72
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDC,D,E,G,H3DPQ0.72
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDI1THS0.72
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDI1QUR0.72
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDA,B,C,D3DPO0.72
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDH,I4THN0.72
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDA,D1D5M0.72
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDD,H1O0D0.72
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P		1YWH0.72
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDA1XRZ0.72
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDD1D5X0.72
XCP(1S,2S)-2-aminocyclopentanecarboxylic acidA3HF00.86
XCP(1S,2S)-2-aminocyclopentanecarboxylic acidA,B,D,E,F3FDM0.86
XCP(1S,2S)-2-aminocyclopentanecarboxylic acidA3C3H0.86
MEG(2S,3R)-3-METHYL-GLUTAMIC ACIDA1T5N0.71
MEG(2S,3R)-3-METHYL-GLUTAMIC ACIDA1T5M0.71
AMHTRANS-4-AMINOMETHYLCYCLOHEXANE-
1-CARBOXYLIC ACID		A,B1CEB0.73
AMHTRANS-4-AMINOMETHYLCYCLOHEXANE-
1-CARBOXYLIC ACID		A1B2I0.73
CHGCYCLOHEXYL-GLYCINE2,3,48KME0.73
CHGCYCLOHEXYL-GLYCINEH,I4THN0.73
CHGCYCLOHEXYL-GLYCINEH,I,J7KME0.73
CHGCYCLOHEXYL-GLYCINEH,I5GDS0.73
AB52(S)-AMINO-6-BORONOHEXANOIC ACIDA,B2AEB0.71
KAH5-AMINO-4-HYDROXYHEXANOIC ACIDA1H7P0.72
DILD-ISOLEUCINEA,B2Q330.72
DILD-ISOLEUCINEA1CWZ0.72
DILD-ISOLEUCINEA1CVQ0.72
DILD-ISOLEUCINEA1C4B0.72
DILD-ISOLEUCINEA1CW80.72
DILD-ISOLEUCINEA2AP80.72
IILISO-ISOLEUCINEA,B,C,D1Q4V0.72
IILISO-ISOLEUCINEA1KMF0.72
IILISO-ISOLEUCINEA,B,C1TGG0.72
IILISO-ISOLEUCINEA1RH40.72
SYM2S,4R-4-METHYLGLUTAMATEA,B1SD30.71
DNED-NORLEUCINEA1R9V0.72
DNED-NORLEUCINEA,B1S4A0.72
DNED-NORLEUCINEA,B1S1O0.72
BIL(3R,4S)-3-amino-4-methylhexanoic acidA,B,C3HEZ0.79
BIL(3R,4S)-3-amino-4-methylhexanoic acidA,B,C,D3C3F0.79
BIL(3R,4S)-3-amino-4-methylhexanoic acidA3HF00.79
BIL(3R,4S)-3-amino-4-methylhexanoic acidA3C3G0.79
DO22-AMINO-6-OXO-HEXANOIC ACIDA,B1DJP0.72
VIG4-AMINO HEXANOIC ACIDA,B,C,D1OHW0.77
MNL4,N-DIMETHYLNORLEUCINEC1CWC0.71
NLENORLEUCINEA1MMT0.72
NLENORLEUCINEA,B1JB60.72
NLENORLEUCINEC1K2B0.72
NLENORLEUCINEA,B,C2AVQ0.72
NLENORLEUCINEC,D,I,L1R1L0.72
NLENORLEUCINEE,S2RLN0.72
NLENORLEUCINEE,S1Z3L0.72
NLENORLEUCINEA,B,C2AOD0.72
NLENORLEUCINEA,B,C2J9J0.72
NLENORLEUCINEA,B,I4HVP0.72
NLENORLEUCINEA,B,C2AVM0.72
NLENORLEUCINEB,C1K1T0.72
NLENORLEUCINEA,B,C2AOC0.72
NLENORLEUCINEA,B,C2JE40.72
NLENORLEUCINEA,B,I3DCK0.72
NLENORLEUCINEB1EOL0.72
NLENORLEUCINEA1FF00.72
NLENORLEUCINEA1FG60.72
NLENORLEUCINEA1FGC0.72
NLENORLEUCINEE,S1Z3M0.72
NLENORLEUCINEA2RME0.72
NLENORLEUCINEB1FGL0.72
NLENORLEUCINEC1K1U0.72
NLENORLEUCINEA,B1B7H0.72
NLENORLEUCINEA1HTH0.72
NLENORLEUCINEA,B,D2J9K0.72
NLENORLEUCINEA2RMD0.72
NLENORLEUCINEA,B,C2AOG0.72
NLENORLEUCINEA2RMI0.72
NLENORLEUCINEI1EPO0.72
NLENORLEUCINEA1FFI0.72
NLENORLEUCINEA1HD90.72
NLENORLEUCINEA1FFF0.72
NLENORLEUCINEB2JND0.72
NLENORLEUCINEA1FEJ0.72
NLENORLEUCINEA2K9E0.72
NLENORLEUCINEC1CFN0.72
NLENORLEUCINEC1K2C0.72
NLENORLEUCINEA1WY40.72
NLENORLEUCINEA1FQ80.72
NLENORLEUCINEA,B1S1O0.72
NLENORLEUCINEA2F4K0.72
NLENORLEUCINEA,B1D5E0.72
NLENORLEUCINEA2JX40.72
NLENORLEUCINEA1FG80.72
NLENORLEUCINEA1WY30.72
NLENORLEUCINEI1YTJ0.72
NLENORLEUCINEA,B,I3DCR0.72
NLENORLEUCINEA,I2O400.72
NLENORLEUCINEA,B2GYP0.72
NLENORLEUCINEC,F1A8K0.72
NLENORLEUCINEC1BAI0.72
NLENORLEUCINEA,B2JT90.72
NLENORLEUCINEA2RM90.72
NLENORLEUCINEA,B1DAZ0.72
NLENORLEUCINEA1F3R0.72
NLENORLEUCINEA,I2JXR0.72
NLENORLEUCINEC,F1A940.72
NLENORLEUCINEA,B1S4A0.72
NLENORLEUCINEA1R9V0.72
NLENORLEUCINEA,B,C,D,E,F2Z2T0.72
LPLLEU-HYDROXYETHYLENE-LEUB,D,F,H1SMR0.71
DLYD-LYSINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P		1YWH0.72
DLYD-LYSINEA1C4B0.72
DLYD-LYSINEA,B,C,D3BOG0.72
DLYD-LYSINEA1KO00.72
DLYD-LYSINEA,B,C,D3C1P0.72
DLYD-LYSINEA,B,C,H,K,L2R5D0.72
DLYD-LYSINEA,B,C,D2R3C0.72
DLYD-LYSINEA,B,C,H,K,L2R5B0.72
DLYD-LYSINEA,B2Q330.72
DLYD-LYSINEA,B2ATS0.72
DLYD-LYSINEA1RCQ0.72
UN12-AMINOHEXANEDIOIC ACIDA,B,C,D1H0G0.79
C5A(1S,3S)-1-aminocyclopentane-1,3-
dicarboxylic acid		A,B2E4W0.81
2CG(1R,2R)-3-[(S)-amino(carboxy)methyl]cyclopropane-
1,2-dicarboxylic acid		A,B2E4V0.8
C5B(1S,3R)-1-AMINOCYCLOPENTANE-1,3-
DICARBOXYLIC ACID		A,B2E4X0.81
IKT3-(1-AMINOETHYL)NONANEDIOIC ACIDA1DAE0.77
PB13-(2-AMINOETHYL)-4-(AMINOMETHYL)HEPTANEDIOIC ACIDA,B1PV80.73
AC51-AMINOCYCLOPENTANECARBOXYLIC ACIDA,B1Y1M0.76
DDO6-HYDROXY-D-NORLEUCINEA,B,C,D1JSL0.73