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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03201329

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
UN12-AMINOHEXANEDIOIC ACIDA,B,C,D1H0G0.84
2CG(1R,2R)-3-[(S)-amino(carboxy)methyl]cyclopropane-
1,2-dicarboxylic acid
A,B2E4V0.72
AHP2-AMINO-HEPTANOIC ACIDD1J4X0.71
DON6-DIAZENYL-5-OXO-L-NORLEUCINEA,B2OSU0.71
ABH2(S)-AMINO-6-BORONOHEXANOIC ACIDA,B1D3V0.78
ABH2(S)-AMINO-6-BORONOHEXANOIC ACIDA,B2PLL0.78
ABH2(S)-AMINO-6-BORONOHEXANOIC ACIDA,B3E6K0.78
ABH2(S)-AMINO-6-BORONOHEXANOIC ACIDA,B3E6V0.78
LYZ5-HYDROXYLYSINEA,B,C,D1QGW0.74
LYZ5-HYDROXYLYSINEA,B,C,D1XG00.74
LYZ5-HYDROXYLYSINEA,B,C,D1XF60.74
LYZ5-HYDROXYLYSINEA,B,C1YGV0.74
LYZ5-HYDROXYLYSINEA,B,C1Y0F0.74
POMCIS-5-METHYL-4-OXOPROLINEA,B1A7Z0.74
LPLLEU-HYDROXYETHYLENE-LEUB,D,F,H1SMR0.7
DO22-AMINO-6-OXO-HEXANOIC ACIDA,B1DJP0.8
NPI2-AMINOPIMELIC ACIDA2TDT0.74
NPI2-AMINOPIMELIC ACIDA1KGQ0.74
NLK(2R,5S)-5-amino-2-butyl-4-oxononanoic acidA,B,I3DCK0.72
KYQ(E)-N~6~-(1-carboxy-2-hydroxyethylidene)-
L-lysine
A,B3C0J0.72
6CL6-CARBOXYLYSINEU2AIZ0.73
GHGGAMMA-HYDROXY-GLUTAMINEH,L1RUA0.71
GHGGAMMA-HYDROXY-GLUTAMINEH,L1RUL0.71
GHGGAMMA-HYDROXY-GLUTAMINEH,L1RU90.71
26P2-AMINO-6-OXOPIMELIC ACIDA3TDT0.78
LDO6-HYDROXY-L-NORLEUCINEA,B,C,D1JSR0.84
API2,6-DIAMINOPIMELIC ACIDA,B1E8C0.73
API2,6-DIAMINOPIMELIC ACIDA2DAP0.73
API2,6-DIAMINOPIMELIC ACIDE,S148L0.73
EXY6-[(2R)-oxiran-2-yl]-L-norleucineA,B3DJ80.7
AB52(S)-AMINO-6-BORONOHEXANOIC ACIDA,B2AEB0.76
AA42-AMINO-5-HYDROXYPENTANOIC ACIDB1MIK0.7
AA42-AMINO-5-HYDROXYPENTANOIC ACIDE,I1QR30.7
DLYD-LYSINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
1YWH0.75
DLYD-LYSINEA1C4B0.75
DLYD-LYSINEA,B,C,D3BOG0.75
DLYD-LYSINEA1KO00.75
DLYD-LYSINEA,B,C,D3C1P0.75
DLYD-LYSINEA,B,C,H,K,L2R5D0.75
DLYD-LYSINEA,B,C,D2R3C0.75
DLYD-LYSINEA,B,C,H,K,L2R5B0.75
DLYD-LYSINEA,B2Q330.75
DLYD-LYSINEA,B2ATS0.75
DLYD-LYSINEA1RCQ0.75
HLUBETA-HYDROXYLEUCINEA1ROV0.71
NLENORLEUCINEA1MMT0.75
NLENORLEUCINEA,B1JB60.75
NLENORLEUCINEC1K2B0.75
NLENORLEUCINEA,B,C2AVQ0.75
NLENORLEUCINEC,D,I,L1R1L0.75
NLENORLEUCINEE,S2RLN0.75
NLENORLEUCINEE,S1Z3L0.75
NLENORLEUCINEA,B,C2AOD0.75
NLENORLEUCINEA,B,C2J9J0.75
NLENORLEUCINEA,B,I4HVP0.75
NLENORLEUCINEA,B,C2AVM0.75
NLENORLEUCINEB,C1K1T0.75
NLENORLEUCINEA,B,C2AOC0.75
NLENORLEUCINEA,B,C2JE40.75
NLENORLEUCINEA,B,I3DCK0.75
NLENORLEUCINEB1EOL0.75
NLENORLEUCINEA1FF00.75
NLENORLEUCINEA1FG60.75
NLENORLEUCINEA1FGC0.75
NLENORLEUCINEE,S1Z3M0.75
NLENORLEUCINEA2RME0.75
NLENORLEUCINEB1FGL0.75
NLENORLEUCINEC1K1U0.75
NLENORLEUCINEA,B1B7H0.75
NLENORLEUCINEA1HTH0.75
NLENORLEUCINEA,B,D2J9K0.75
NLENORLEUCINEA2RMD0.75
NLENORLEUCINEA,B,C2AOG0.75
NLENORLEUCINEA2RMI0.75
NLENORLEUCINEI1EPO0.75
NLENORLEUCINEA1FFI0.75
NLENORLEUCINEA1HD90.75
NLENORLEUCINEA1FFF0.75
NLENORLEUCINEB2JND0.75
NLENORLEUCINEA1FEJ0.75
NLENORLEUCINEA2K9E0.75
NLENORLEUCINEC1CFN0.75
NLENORLEUCINEC1K2C0.75
NLENORLEUCINEA1WY40.75
NLENORLEUCINEA1FQ80.75
NLENORLEUCINEA,B1S1O0.75
NLENORLEUCINEA2F4K0.75
NLENORLEUCINEA,B1D5E0.75
NLENORLEUCINEA2JX40.75
NLENORLEUCINEA1FG80.75
NLENORLEUCINEA1WY30.75
NLENORLEUCINEI1YTJ0.75
NLENORLEUCINEA,B,I3DCR0.75
NLENORLEUCINEA,I2O400.75
NLENORLEUCINEA,B2GYP0.75
NLENORLEUCINEC,F1A8K0.75
NLENORLEUCINEC1BAI0.75
NLENORLEUCINEA,B2JT90.75
NLENORLEUCINEA2RM90.75
NLENORLEUCINEA,B1DAZ0.75
NLENORLEUCINEA1F3R0.75
NLENORLEUCINEA,I2JXR0.75
NLENORLEUCINEC,F1A940.75
NLENORLEUCINEA,B1S4A0.75
NLENORLEUCINEA1R9V0.75
NLENORLEUCINEA,B,C,D,E,F2Z2T0.75
DDO6-HYDROXY-D-NORLEUCINEA,B,C,D1JSL0.84
LOV5-AMINO-4-HYDROXY-2-ISOPROPYL-7-
METHYL-OCTANOIC ACID
A,B1OEX0.7
LOV5-AMINO-4-HYDROXY-2-ISOPROPYL-7-
METHYL-OCTANOIC ACID
A,B,I8HVP0.7
LOV5-AMINO-4-HYDROXY-2-ISOPROPYL-7-
METHYL-OCTANOIC ACID
A,B1GKT0.7
LOV5-AMINO-4-HYDROXY-2-ISOPROPYL-7-
METHYL-OCTANOIC ACID
E,I2ER70.7
DNED-NORLEUCINEA1R9V0.75
DNED-NORLEUCINEA,B1S4A0.75
DNED-NORLEUCINEA,B1S1O0.75
ONL5-OXO-L-NORLEUCINEA,B1ECG0.73
ONL5-OXO-L-NORLEUCINEA,B,C,D3DLA0.73
ONL5-OXO-L-NORLEUCINEA,X2Q3Z0.73
ONL5-OXO-L-NORLEUCINEA,B1ECC0.73
ONL5-OXO-L-NORLEUCINEA,B3BRM0.73
ONL5-OXO-L-NORLEUCINEA,B1OFE0.73
ONL5-OXO-L-NORLEUCINEA,B2J6H0.73
H5MTRANS-3-HYDROXY-5-METHYLPROLINEA,B1A7Z0.75
ORNORNITHINEE1LAH0.73
ORNORNITHINEB,C,E,F,H,I,
K,L
1JDB0.73
ORNORNITHINEA,Y1TK20.73
ORNORNITHINEA,B,C2W6U0.73
ORNORNITHINEA1T5M0.73
ORNORNITHINEA,B,C,D,E,G,H1BXR0.73
ORNORNITHINEA,B,C,D,E,F,
G,H
1KEE0.73
ORNORNITHINEA,B,C1HQG0.73
ORNORNITHINEA,B,C2W6T0.73
ORNORNITHINEA,B1X7D0.73
ORNORNITHINEA1T5N0.73
ORNORNITHINEA,B,C,D,E,F,
G,H
1CE80.73
ORNORNITHINEA1DSR0.73
ORNORNITHINEA,B,C,D,E,F,
G,H
1A9X0.73
ORNORNITHINEH,K,L,M,P,R1N0X0.73
ORNORNITHINEA,B2PM50.73
ORNORNITHINEA,B,C,D,E,F,
G,H
1CS00.73
ORNORNITHINEE,I1QR30.73
ORNORNITHINEA1HTH0.73
ORNORNITHINEA,B,C,D,E,F,
G,H
1M6V0.73
ORNORNITHINEA,B,C,D,E,F,
G,H
1C3O0.73
ORNORNITHINEA,B,C,D,E,F,
G,H
1C300.73
ORNORNITHINEA1XT70.73
ORNORNITHINEA3JDW0.73
ORNORNITHINEA,B,C,D,E,F,
G,H
1T360.73
ORNORNITHINEA,B1B2H0.73
ORNORNITHINEA,B,C,D,E,F4CEV0.73
KAH5-AMINO-4-HYDROXYHEXANOIC ACIDA1H7P0.85
DHH(S)-2-AMINO-7,7-DIHYDROXYHEPTANOIC ACIDA,B,C1T5F0.76