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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03099008

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
GBN[1-(AMINOMETHYL)CYCLOHEXYL]ACETIC ACIDA,B2COJ0.7
GBN[1-(AMINOMETHYL)CYCLOHEXYL]ACETIC ACIDA,B,C2EJ30.7
GBN[1-(AMINOMETHYL)CYCLOHEXYL]ACETIC ACIDA,B2A1H0.7
GBN[1-(AMINOMETHYL)CYCLOHEXYL]ACETIC ACIDA,B2COI0.7
LPLLEU-HYDROXYETHYLENE-LEUB,D,F,H1SMR0.73
AMHTRANS-4-AMINOMETHYLCYCLOHEXANE-
1-CARBOXYLIC ACID
A,B1CEB0.72
AMHTRANS-4-AMINOMETHYLCYCLOHEXANE-
1-CARBOXYLIC ACID
A1B2I0.72
KAP7-KETO-8-AMINOPELARGONIC ACIDA,B1QJ30.72
KAP7-KETO-8-AMINOPELARGONIC ACIDA,B,C,D3FMI0.72
KAP7-KETO-8-AMINOPELARGONIC ACIDA,B3DU40.72
NLK(2R,5S)-5-amino-2-butyl-4-oxononanoic acidA,B,I3DCK0.74
DOA12-AMINO-DODECANOIC ACIDB1EOJ0.7
DOA12-AMINO-DODECANOIC ACIDA,D1H8T0.7
DOA12-AMINO-DODECANOIC ACIDA2DCX0.7
DOA12-AMINO-DODECANOIC ACIDB1EOL0.7
DNN7,8-DIAMINO-NONANOIC ACIDA1DAH0.73
DNN7,8-DIAMINO-NONANOIC ACIDA1A820.73
IKT3-(1-AMINOETHYL)NONANEDIOIC ACIDA1DAE0.81
AFC(3R,12R)-3-AMINO-12-METHYLTETRADECANALA2IGZ0.74
BIL(3R,4S)-3-amino-4-methylhexanoic acidA,B,C3HEZ0.75
BIL(3R,4S)-3-amino-4-methylhexanoic acidA,B,C,D3C3F0.75
BIL(3R,4S)-3-amino-4-methylhexanoic acidA3HF00.75
BIL(3R,4S)-3-amino-4-methylhexanoic acidA3C3G0.75
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDD1D5Z0.77
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDH,I5GDS0.77
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDH,P2A2X0.77
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDD,H2FEQ0.77
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDH,P2ANK0.77
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDA,C,D3DPP0.77
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDA1EB10.77
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDD,H1NZQ0.77
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDI1HBT0.77
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDD1D6E0.77
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDA,B1B3H0.77
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDD,H2FES0.77
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDC,D,E,G,H3DPQ0.77
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDI1THS0.77
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDI1QUR0.77
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDA,B,C,D3DPO0.77
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDH,I4THN0.77
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDA,D1D5M0.77
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDD,H1O0D0.77
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
1YWH0.77
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDA1XRZ0.77
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDD1D5X0.77
NLH(2R,5S)-5-amino-2-butyl-4,4-dihydroxynonanoic acidA,B,I3DCR0.74
CHS4-AMINO-5-CYCLOHEXYL-3-HYDROXY-
PENTANOIC ACID
I1E800.71
CHS4-AMINO-5-CYCLOHEXYL-3-HYDROXY-
PENTANOIC ACID
I1EED0.71
CHS4-AMINO-5-CYCLOHEXYL-3-HYDROXY-
PENTANOIC ACID
I2ER00.71
LOV5-AMINO-4-HYDROXY-2-ISOPROPYL-7-
METHYL-OCTANOIC ACID
A,B1OEX0.73
LOV5-AMINO-4-HYDROXY-2-ISOPROPYL-7-
METHYL-OCTANOIC ACID
A,B,I8HVP0.73
LOV5-AMINO-4-HYDROXY-2-ISOPROPYL-7-
METHYL-OCTANOIC ACID
A,B1GKT0.73
LOV5-AMINO-4-HYDROXY-2-ISOPROPYL-7-
METHYL-OCTANOIC ACID
E,I2ER70.73
CHGCYCLOHEXYL-GLYCINE2,3,48KME0.75
CHGCYCLOHEXYL-GLYCINEH,I4THN0.75
CHGCYCLOHEXYL-GLYCINEH,I,J7KME0.75
CHGCYCLOHEXYL-GLYCINEH,I5GDS0.75
CPV5-AMINO-6-CYCLOHEXYL-4-HYDROXY-
2-ISOPROPYL-HEXANOIC ACID
I1IVQ0.71
HHK(2S)-2,8-DIAMINOOCTANOIC ACIDA1XY80.7
AHY(2S,3R)-3-AMINO-2-HYDROXYDECANOIC ACIDA,D2J9A0.7
B3K(3S)-3,7-DIAMINOHEPTANOIC ACIDA3C3G0.73
B3K(3S)-3,7-DIAMINOHEPTANOIC ACIDA,B,C2OXJ0.73
B3K(3S)-3,7-DIAMINOHEPTANOIC ACIDA,B,C,D3C3F0.73
B3K(3S)-3,7-DIAMINOHEPTANOIC ACIDA,B,C3HEZ0.73
B3K(3S)-3,7-DIAMINOHEPTANOIC ACIDA2OXK0.73
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