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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03266940

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
MKE(4S)-4-AMINO-5-OXOHEXANOIC ACIDA,I2HAL0.71
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
MN14-CARBOXYPIPERIDINEN1NLO0.72
MN14-CARBOXYPIPERIDINEN1NLP0.72
DOA12-AMINO-DODECANOIC ACIDB1EOJ0.73
DOA12-AMINO-DODECANOIC ACIDA,D1H8T0.73
DOA12-AMINO-DODECANOIC ACIDA2DCX0.73
DOA12-AMINO-DODECANOIC ACIDB1EOL0.73
AMHTRANS-4-AMINOMETHYLCYCLOHEXANE-
1-CARBOXYLIC ACID
A,B1CEB0.77
AMHTRANS-4-AMINOMETHYLCYCLOHEXANE-
1-CARBOXYLIC ACID
A1B2I0.77
NPI2-AMINOPIMELIC ACIDA2TDT0.7
NPI2-AMINOPIMELIC ACIDA1KGQ0.7
GBN[1-(AMINOMETHYL)CYCLOHEXYL]ACETIC ACIDA,B2COJ0.72
GBN[1-(AMINOMETHYL)CYCLOHEXYL]ACETIC ACIDA,B,C2EJ30.72
GBN[1-(AMINOMETHYL)CYCLOHEXYL]ACETIC ACIDA,B2A1H0.72
GBN[1-(AMINOMETHYL)CYCLOHEXYL]ACETIC ACIDA,B2COI0.72
B3Q(3S)-3,6-diamino-6-oxohexanoic acidA,B,C3HEZ0.73
B3Q(3S)-3,6-diamino-6-oxohexanoic acidA3C3G0.73
AB52(S)-AMINO-6-BORONOHEXANOIC ACIDA,B2AEB0.73
VIG4-AMINO HEXANOIC ACIDA,B,C,D1OHW0.79
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
IKT3-(1-AMINOETHYL)NONANEDIOIC ACIDA1DAE0.75
DLED-LEUCINEA,B1ALZ0.71
DLED-LEUCINEA,B1BDW0.71
DLED-LEUCINEA,D1CZQ0.71
DLED-LEUCINEA1BFW0.71
DLED-LEUCINEE,F,G,H1XN20.71
DLED-LEUCINEA,B,C,D1GMK0.71
DLED-LEUCINEA,B1TKQ0.71
DLED-LEUCINEA,B,C,H,K,L2R5D0.71
DLED-LEUCINEA2NPV0.71
DLED-LEUCINEA,B,C,D2R3C0.71
DLED-LEUCINEB,D,E1AFQ0.71
DLED-LEUCINEA,B1MIC0.71
DLED-LEUCINEA,B1NRU0.71
DLED-LEUCINEA,B1JNO0.71
DLED-LEUCINEA,B1GRM0.71
DLED-LEUCINEA,B1NRM0.71
DLED-LEUCINEA,D2Q3I0.71
DLED-LEUCINEA,B1NT50.71
DLED-LEUCINEA2JUE0.71
DLED-LEUCINEA,B,C,D1AV20.71
DLED-LEUCINEA1YY20.71
DLED-LEUCINEA,B1AL40.71
DLED-LEUCINEA,B1NG80.71
DLED-LEUCINEA,B1ALX0.71
DLED-LEUCINEA,B1JO40.71
DLED-LEUCINEA,B,C,H,K,L2R5B0.71
DLED-LEUCINEA,B1MAG0.71
DLED-LEUCINEA,B1NT60.71
DLED-LEUCINEA,B2Q330.71
DLED-LEUCINEA,B1JO30.71
DLED-LEUCINEE,I1BLL0.71
DLED-LEUCINEA,B1KQE0.71
DLED-LEUCINEA,B,C,D1W5U0.71
DLED-LEUCINEA,B,C,D2IZQ0.71
DLED-LEUCINEA1C4B0.71
DLED-LEUCINEA,B,C,D1C4D0.71
LME(3R)-3-METHYL-L-GLUTAMIC ACIDA1XT70.72
NLENORLEUCINEA1MMT0.74
NLENORLEUCINEA,B1JB60.74
NLENORLEUCINEC1K2B0.74
NLENORLEUCINEA,B,C2AVQ0.74
NLENORLEUCINEC,D,I,L1R1L0.74
NLENORLEUCINEE,S2RLN0.74
NLENORLEUCINEE,S1Z3L0.74
NLENORLEUCINEA,B,C2AOD0.74
NLENORLEUCINEA,B,C2J9J0.74
NLENORLEUCINEA,B,I4HVP0.74
NLENORLEUCINEA,B,C2AVM0.74
NLENORLEUCINEB,C1K1T0.74
NLENORLEUCINEA,B,C2AOC0.74
NLENORLEUCINEA,B,C2JE40.74
NLENORLEUCINEA,B,I3DCK0.74
NLENORLEUCINEB1EOL0.74
NLENORLEUCINEA1FF00.74
NLENORLEUCINEA1FG60.74
NLENORLEUCINEA1FGC0.74
NLENORLEUCINEE,S1Z3M0.74
NLENORLEUCINEA2RME0.74
NLENORLEUCINEB1FGL0.74
NLENORLEUCINEC1K1U0.74
NLENORLEUCINEA,B1B7H0.74
NLENORLEUCINEA1HTH0.74
NLENORLEUCINEA,B,D2J9K0.74
NLENORLEUCINEA2RMD0.74
NLENORLEUCINEA,B,C2AOG0.74
NLENORLEUCINEA2RMI0.74
NLENORLEUCINEI1EPO0.74
NLENORLEUCINEA1FFI0.74
NLENORLEUCINEA1HD90.74
NLENORLEUCINEA1FFF0.74
NLENORLEUCINEB2JND0.74
NLENORLEUCINEA1FEJ0.74
NLENORLEUCINEA2K9E0.74
NLENORLEUCINEC1CFN0.74
NLENORLEUCINEC1K2C0.74
NLENORLEUCINEA1WY40.74
NLENORLEUCINEA1FQ80.74
NLENORLEUCINEA,B1S1O0.74
NLENORLEUCINEA2F4K0.74
NLENORLEUCINEA,B1D5E0.74
NLENORLEUCINEA2JX40.74
NLENORLEUCINEA1FG80.74
NLENORLEUCINEA1WY30.74
NLENORLEUCINEI1YTJ0.74
NLENORLEUCINEA,B,I3DCR0.74
NLENORLEUCINEA,I2O400.74
NLENORLEUCINEA,B2GYP0.74
NLENORLEUCINEC,F1A8K0.74
NLENORLEUCINEC1BAI0.74
NLENORLEUCINEA,B2JT90.74
NLENORLEUCINEA2RM90.74
NLENORLEUCINEA,B1DAZ0.74
NLENORLEUCINEA1F3R0.74
NLENORLEUCINEA,I2JXR0.74
NLENORLEUCINEC,F1A940.74
NLENORLEUCINEA,B1S4A0.74
NLENORLEUCINEA1R9V0.74
NLENORLEUCINEA,B,C,D,E,F2Z2T0.74
AHP2-AMINO-HEPTANOIC ACIDD1J4X0.7
DAVDELTA-AMINO VALERIC ACIDA1H7O0.73
DAVDELTA-AMINO VALERIC ACIDA7JDW0.73
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
HOZ(4S)-4,5-DIAMINOPENTANOIC ACIDA,B2HOZ0.71
HOZ(4S)-4,5-DIAMINOPENTANOIC ACIDA,B2HP20.71
HOZ(4S)-4,5-DIAMINOPENTANOIC ACIDA,B2HP10.71
ABUGAMMA-AMINO-BUTANOIC ACIDE,I,J1M1A0.71
ABUGAMMA-AMINO-BUTANOIC ACIDD,I,J1M180.71
ABUGAMMA-AMINO-BUTANOIC ACIDA2OKK0.71
ABUGAMMA-AMINO-BUTANOIC ACIDI1QUR0.71
ABUGAMMA-AMINO-BUTANOIC ACIDE,I,J1M190.71
ABUGAMMA-AMINO-BUTANOIC ACIDA,B2OKJ0.71
ABUGAMMA-AMINO-BUTANOIC ACIDA,B1CGL0.71
ABUGAMMA-AMINO-BUTANOIC ACIDA6JDW0.71
ABUGAMMA-AMINO-BUTANOIC ACIDA,D,E,G,I,J1S320.71
ABUGAMMA-AMINO-BUTANOIC ACIDA,B2JT90.71
ZAL3-cyclohexyl-D-alanineI1HBT0.71
XCP(1S,2S)-2-aminocyclopentanecarboxylic acidA3HF00.79
XCP(1S,2S)-2-aminocyclopentanecarboxylic acidA,B,D,E,F3FDM0.79
XCP(1S,2S)-2-aminocyclopentanecarboxylic acidA3C3H0.79
B3E(3S)-3-AMINOHEXANEDIOIC ACIDA3C3G0.76
B3E(3S)-3-AMINOHEXANEDIOIC ACIDA2OXK0.76
B3E(3S)-3-AMINOHEXANEDIOIC ACIDA,B,C,D3C3F0.76
B3E(3S)-3-AMINOHEXANEDIOIC ACIDA,B,C3HEZ0.76
B3E(3S)-3-AMINOHEXANEDIOIC ACIDA,B,C2OXJ0.76
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
MEG(2S,3R)-3-METHYL-GLUTAMIC ACIDA1T5N0.72
MEG(2S,3R)-3-METHYL-GLUTAMIC ACIDA1T5M0.72
DILD-ISOLEUCINEA,B2Q330.74
DILD-ISOLEUCINEA1CWZ0.74
DILD-ISOLEUCINEA1CVQ0.74
DILD-ISOLEUCINEA1C4B0.74
DILD-ISOLEUCINEA1CW80.74
DILD-ISOLEUCINEA2AP80.74
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDD1D5Z0.71
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDH,I5GDS0.71
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDH,P2A2X0.71
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDD,H2FEQ0.71
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDH,P2ANK0.71
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDA,C,D3DPP0.71
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDA1EB10.71
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDD,H1NZQ0.71
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDI1HBT0.71
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDD1D6E0.71
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDA,B1B3H0.71
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDD,H2FES0.71
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDC,D,E,G,H3DPQ0.71
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDI1THS0.71
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDI1QUR0.71
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDA,B,C,D3DPO0.71
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDH,I4THN0.71
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDA,D1D5M0.71
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDD,H1O0D0.71
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
1YWH0.71
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDA1XRZ0.71
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDD1D5X0.71
IILISO-ISOLEUCINEA,B,C,D1Q4V0.74
IILISO-ISOLEUCINEA1KMF0.74
IILISO-ISOLEUCINEA,B,C1TGG0.74
IILISO-ISOLEUCINEA1RH40.74
PB13-(2-AMINOETHYL)-4-(AMINOMETHYL)HEPTANEDIOIC ACIDA,B1PV80.75
DNED-NORLEUCINEA1R9V0.74
DNED-NORLEUCINEA,B1S4A0.74
DNED-NORLEUCINEA,B1S1O0.74
CHGCYCLOHEXYL-GLYCINE2,3,48KME0.72
CHGCYCLOHEXYL-GLYCINEH,I4THN0.72
CHGCYCLOHEXYL-GLYCINEH,I,J7KME0.72
CHGCYCLOHEXYL-GLYCINEH,I5GDS0.72
AC51-AMINOCYCLOPENTANECARBOXYLIC ACIDA,B1Y1M0.71
ACA6-AMINOHEXANOIC ACIDA,B2JT90.82
ACA6-AMINOHEXANOIC ACIDA,B1CEA0.82
ACA6-AMINOHEXANOIC ACIDC1ILP0.82
ACA6-AMINOHEXANOIC ACIDA2PK40.82
ACA6-AMINOHEXANOIC ACID1,2,4,5,A,B,
C,D,E,J,K,L,
M,N,O,P,R,S,
T,U,V,Z
1M900.82
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
1VQ60.82
ACA6-AMINOHEXANOIC ACID0,2,4,9,A,B,
C,H,I,J,K,L,
M,N,P,Q,R,S,
T,X,Y,Z
1KQS0.82
ACA6-AMINOHEXANOIC ACIDA1PK20.82
ACA6-AMINOHEXANOIC ACIDA2ZM70.82
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
3CMA0.82
ACA6-AMINOHEXANOIC ACIDC1ILQ0.82
ACA6-AMINOHEXANOIC ACIDA2ZM80.82
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
1VQK0.82
ACA6-AMINOHEXANOIC ACIDA2DCF0.82
ACA6-AMINOHEXANOIC ACIDA1HPK0.82
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
1VQ80.82
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
3CME0.82
ACA6-AMINOHEXANOIC ACIDA2ZM90.82
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
1VQN0.82
ACA6-AMINOHEXANOIC ACIDA2ZMA0.82
ACA6-AMINOHEXANOIC ACIDA3KIV0.82
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
1VQ90.82