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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03213528

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
EXY6-[(2R)-oxiran-2-yl]-L-norleucineA,B3DJ80.71
DHH(S)-2-AMINO-7,7-DIHYDROXYHEPTANOIC ACIDA,B,C1T5F0.74
OICOCTAHYDROINDOLE-2-CARBOXYLIC ACIDB,C3BV90.73
OICOCTAHYDROINDOLE-2-CARBOXYLIC ACIDA1BDK0.73
AMHTRANS-4-AMINOMETHYLCYCLOHEXANE-
1-CARBOXYLIC ACID		A,B1CEB0.78
AMHTRANS-4-AMINOMETHYLCYCLOHEXANE-
1-CARBOXYLIC ACID		A1B2I0.78
XCP(1S,2S)-2-aminocyclopentanecarboxylic acidA3HF00.73
XCP(1S,2S)-2-aminocyclopentanecarboxylic acidA,B,D,E,F3FDM0.73
XCP(1S,2S)-2-aminocyclopentanecarboxylic acidA3C3H0.73
CYJ(Z)-N~6~-[(4R,5S)-5-(2-CARBOXYETHYL)-
4-(CARBOXYMETHYL)PIPERIDIN-3-YLIDENE]-
L-LYSINE		A,B2C140.7
ZDP(2S,6S)-2,6-DIAMINO-2-METHYLHEPTANEDIOIC ACIDA,B,C,D,E,F3EJX0.77
ZDP(2S,6S)-2,6-DIAMINO-2-METHYLHEPTANEDIOIC ACIDA2GKE0.77
C5A(1S,3S)-1-aminocyclopentane-1,3-
dicarboxylic acid		A,B2E4W0.75
PB13-(2-AMINOETHYL)-4-(AMINOMETHYL)HEPTANEDIOIC ACIDA,B1PV80.81
C5B(1S,3R)-1-AMINOCYCLOPENTANE-1,3-
DICARBOXYLIC ACID		A,B2E4X0.75
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
BIL(3R,4S)-3-amino-4-methylhexanoic acidA,B,C3HEZ0.73
BIL(3R,4S)-3-amino-4-methylhexanoic acidA,B,C,D3C3F0.73
BIL(3R,4S)-3-amino-4-methylhexanoic acidA3HF00.73
BIL(3R,4S)-3-amino-4-methylhexanoic acidA3C3G0.73
CAL5-AMINO-6-CYCLOHEXYL-4-HYDROXY-
2-ISOBUTYL-HEXANOIC ACID		A1FQ70.75
CAL5-AMINO-6-CYCLOHEXYL-4-HYDROXY-
2-ISOBUTYL-HEXANOIC ACID		I4ER10.75
CAL5-AMINO-6-CYCLOHEXYL-4-HYDROXY-
2-ISOBUTYL-HEXANOIC ACID		I3ER30.75
CHGCYCLOHEXYL-GLYCINE2,3,48KME0.81
CHGCYCLOHEXYL-GLYCINEH,I4THN0.81
CHGCYCLOHEXYL-GLYCINEH,I,J7KME0.81
CHGCYCLOHEXYL-GLYCINEH,I5GDS0.81
CPV5-AMINO-6-CYCLOHEXYL-4-HYDROXY-
2-ISOPROPYL-HEXANOIC ACID		I1IVQ0.73
IKT3-(1-AMINOETHYL)NONANEDIOIC ACIDA1DAE0.76
LDO6-HYDROXY-L-NORLEUCINEA,B,C,D1JSR0.73
LPLLEU-HYDROXYETHYLENE-LEUB,D,F,H1SMR0.78
ABH2(S)-AMINO-6-BORONOHEXANOIC ACIDA,B1D3V0.75
ABH2(S)-AMINO-6-BORONOHEXANOIC ACIDA,B2PLL0.75
ABH2(S)-AMINO-6-BORONOHEXANOIC ACIDA,B3E6K0.75
ABH2(S)-AMINO-6-BORONOHEXANOIC ACIDA,B3E6V0.75
CAV5-AMINO-6-CYCLOHEXYL-3,4-DIHYDROXY-
2-ISOPROPYL-HEXANOIC ACID		A,B,I1HIV0.7
CAV5-AMINO-6-CYCLOHEXYL-3,4-DIHYDROXY-
2-ISOPROPYL-HEXANOIC ACID		I1IVP0.7
PCE2-(3-AMINO-4-CYCLOHEXYL-2-HYDROXY-
BUTYL)-PENT-4-YNOIC ACID		A1FQ40.71
AB52(S)-AMINO-6-BORONOHEXANOIC ACIDA,B2AEB0.74
26P2-AMINO-6-OXOPIMELIC ACIDA3TDT0.78
NLK(2R,5S)-5-amino-2-butyl-4-oxononanoic acidA,B,I3DCK0.8
UN12-AMINOHEXANEDIOIC ACIDA,B,C,D1H0G0.82
6CL6-CARBOXYLYSINEU2AIZ0.79
API2,6-DIAMINOPIMELIC ACIDA,B1E8C0.79
API2,6-DIAMINOPIMELIC ACIDA2DAP0.79
API2,6-DIAMINOPIMELIC ACIDE,S148L0.79
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDD1D5Z0.8
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDH,I5GDS0.8
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDH,P2A2X0.8
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDD,H2FEQ0.8
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDH,P2ANK0.8
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDA,C,D3DPP0.8
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDA1EB10.8
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDD,H1NZQ0.8
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDI1HBT0.8
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDD1D6E0.8
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDA,B1B3H0.8
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDD,H2FES0.8
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDC,D,E,G,H3DPQ0.8
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDI1THS0.8
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDI1QUR0.8
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDA,B,C,D3DPO0.8
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDH,I4THN0.8
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDA,D1D5M0.8
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDD,H1O0D0.8
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P		1YWH0.8
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDA1XRZ0.8
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDD1D5X0.8
LOV5-AMINO-4-HYDROXY-2-ISOPROPYL-7-
METHYL-OCTANOIC ACID		A,B1OEX0.75
LOV5-AMINO-4-HYDROXY-2-ISOPROPYL-7-
METHYL-OCTANOIC ACID		A,B,I8HVP0.75
LOV5-AMINO-4-HYDROXY-2-ISOPROPYL-7-
METHYL-OCTANOIC ACID		A,B1GKT0.75
LOV5-AMINO-4-HYDROXY-2-ISOPROPYL-7-
METHYL-OCTANOIC ACID		E,I2ER70.75
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
AHP2-AMINO-HEPTANOIC ACIDD1J4X0.77
DNED-NORLEUCINEA1R9V0.72
DNED-NORLEUCINEA,B1S4A0.72
DNED-NORLEUCINEA,B1S1O0.72
DO22-AMINO-6-OXO-HEXANOIC ACIDA,B1DJP0.72
ORNORNITHINEE1LAH0.7
ORNORNITHINEB,C,E,F,H,I,
K,L		1JDB0.7
ORNORNITHINEA,Y1TK20.7
ORNORNITHINEA,B,C2W6U0.7
ORNORNITHINEA1T5M0.7
ORNORNITHINEA,B,C,D,E,G,H1BXR0.7
ORNORNITHINEA,B,C,D,E,F,
G,H		1KEE0.7
ORNORNITHINEA,B,C1HQG0.7
ORNORNITHINEA,B,C2W6T0.7
ORNORNITHINEA,B1X7D0.7
ORNORNITHINEA1T5N0.7
ORNORNITHINEA,B,C,D,E,F,
G,H		1CE80.7
ORNORNITHINEA1DSR0.7
ORNORNITHINEA,B,C,D,E,F,
G,H		1A9X0.7
ORNORNITHINEH,K,L,M,P,R1N0X0.7
ORNORNITHINEA,B2PM50.7
ORNORNITHINEA,B,C,D,E,F,
G,H		1CS00.7
ORNORNITHINEE,I1QR30.7
ORNORNITHINEA1HTH0.7
ORNORNITHINEA,B,C,D,E,F,
G,H		1M6V0.7
ORNORNITHINEA,B,C,D,E,F,
G,H		1C3O0.7
ORNORNITHINEA,B,C,D,E,F,
G,H		1C300.7
ORNORNITHINEA1XT70.7
ORNORNITHINEA3JDW0.7
ORNORNITHINEA,B,C,D,E,F,
G,H		1T360.7
ORNORNITHINEA,B1B2H0.7
ORNORNITHINEA,B,C,D,E,F4CEV0.7
2CG(1R,2R)-3-[(S)-amino(carboxy)methyl]cyclopropane-
1,2-dicarboxylic acid		A,B2E4V0.82
MNL4,N-DIMETHYLNORLEUCINEC1CWC0.71
HHK(2S)-2,8-DIAMINOOCTANOIC ACIDA1XY80.73
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
B3L(3S)-3-amino-5-methylhexanoic acidA3C3H0.73
B3L(3S)-3-amino-5-methylhexanoic acidA3C3G0.73
B3L(3S)-3-amino-5-methylhexanoic acidA,B,C,D3C3F0.73
B3L(3S)-3-amino-5-methylhexanoic acidA,B,C3HEZ0.73
B3L(3S)-3-amino-5-methylhexanoic acidA,B,D,E,F3FDM0.73
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
ZDR(2R,6S)-2,6-DIAMINO-2-METHYLHEPTANEDIOIC ACIDA,B,C,D,E,F3EKM0.77
ZDR(2R,6S)-2,6-DIAMINO-2-METHYLHEPTANEDIOIC ACIDA2GKJ0.77
SSC(2S,5S)-5-CARBOXYMETHYLPROLINEA,B,C,D1Q190.72
ZAL3-cyclohexyl-D-alanineI1HBT0.8
NLH(2R,5S)-5-amino-2-butyl-4,4-dihydroxynonanoic acidA,B,I3DCR0.82
NPI2-AMINOPIMELIC ACIDA2TDT0.8
NPI2-AMINOPIMELIC ACIDA1KGQ0.8
B3K(3S)-3,7-DIAMINOHEPTANOIC ACIDA3C3G0.7
B3K(3S)-3,7-DIAMINOHEPTANOIC ACIDA,B,C2OXJ0.7
B3K(3S)-3,7-DIAMINOHEPTANOIC ACIDA,B,C,D3C3F0.7
B3K(3S)-3,7-DIAMINOHEPTANOIC ACIDA,B,C3HEZ0.7
B3K(3S)-3,7-DIAMINOHEPTANOIC ACIDA2OXK0.7
DDO6-HYDROXY-D-NORLEUCINEA,B,C,D1JSL0.73