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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03275718

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
AFC(3R,12R)-3-AMINO-12-METHYLTETRADECANALA2IGZ0.72
IKT3-(1-AMINOETHYL)NONANEDIOIC ACIDA1DAE0.8
HHK(2S)-2,8-DIAMINOOCTANOIC ACIDA1XY80.71
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDD1D5Z0.84
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDH,I5GDS0.84
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDH,P2A2X0.84
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDD,H2FEQ0.84
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDH,P2ANK0.84
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDA,C,D3DPP0.84
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDA1EB10.84
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDD,H1NZQ0.84
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDI1HBT0.84
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDD1D6E0.84
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDA,B1B3H0.84
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDD,H2FES0.84
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDC,D,E,G,H3DPQ0.84
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDI1THS0.84
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDI1QUR0.84
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDA,B,C,D3DPO0.84
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDH,I4THN0.84
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDA,D1D5M0.84
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDD,H1O0D0.84
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
1YWH0.84
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDA1XRZ0.84
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDD1D5X0.84
LPLLEU-HYDROXYETHYLENE-LEUB,D,F,H1SMR0.74
CHGCYCLOHEXYL-GLYCINE2,3,48KME0.82
CHGCYCLOHEXYL-GLYCINEH,I4THN0.82
CHGCYCLOHEXYL-GLYCINEH,I,J7KME0.82
CHGCYCLOHEXYL-GLYCINEH,I5GDS0.82
LTA4,8-DIAMINO-3-HYDROXY-OCTANOIC ACID ETHYL ESTERE,I1APT0.71
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
KAP7-KETO-8-AMINOPELARGONIC ACIDA,B1QJ30.73
KAP7-KETO-8-AMINOPELARGONIC ACIDA,B,C,D3FMI0.73
KAP7-KETO-8-AMINOPELARGONIC ACIDA,B3DU40.73
DNN7,8-DIAMINO-NONANOIC ACIDA1DAH0.74
DNN7,8-DIAMINO-NONANOIC ACIDA1A820.74
DOA12-AMINO-DODECANOIC ACIDB1EOJ0.72
DOA12-AMINO-DODECANOIC ACIDA,D1H8T0.72
DOA12-AMINO-DODECANOIC ACIDA2DCX0.72
DOA12-AMINO-DODECANOIC ACIDB1EOL0.72
GBN[1-(AMINOMETHYL)CYCLOHEXYL]ACETIC ACIDA,B2COJ0.74
GBN[1-(AMINOMETHYL)CYCLOHEXYL]ACETIC ACIDA,B,C2EJ30.74
GBN[1-(AMINOMETHYL)CYCLOHEXYL]ACETIC ACIDA,B2A1H0.74
GBN[1-(AMINOMETHYL)CYCLOHEXYL]ACETIC ACIDA,B2COI0.74
AMHTRANS-4-AMINOMETHYLCYCLOHEXANE-
1-CARBOXYLIC ACID
A,B1CEB0.79
AMHTRANS-4-AMINOMETHYLCYCLOHEXANE-
1-CARBOXYLIC ACID
A1B2I0.79
CFS4-AMINO-5-CYCLOHEXYL-2,2-DIFLUORO-
3-HYDROXY-PENTANOIC ACID
A1FQ80.73
BIL(3R,4S)-3-amino-4-methylhexanoic acidA,B,C3HEZ0.71
BIL(3R,4S)-3-amino-4-methylhexanoic acidA,B,C,D3C3F0.71
BIL(3R,4S)-3-amino-4-methylhexanoic acidA3HF00.71
BIL(3R,4S)-3-amino-4-methylhexanoic acidA3C3G0.71
CPV5-AMINO-6-CYCLOHEXYL-4-HYDROXY-
2-ISOPROPYL-HEXANOIC ACID
I1IVQ0.76
LOV5-AMINO-4-HYDROXY-2-ISOPROPYL-7-
METHYL-OCTANOIC ACID
A,B1OEX0.74
LOV5-AMINO-4-HYDROXY-2-ISOPROPYL-7-
METHYL-OCTANOIC ACID
A,B,I8HVP0.74
LOV5-AMINO-4-HYDROXY-2-ISOPROPYL-7-
METHYL-OCTANOIC ACID
A,B1GKT0.74
LOV5-AMINO-4-HYDROXY-2-ISOPROPYL-7-
METHYL-OCTANOIC ACID
E,I2ER70.74
CHS4-AMINO-5-CYCLOHEXYL-3-HYDROXY-
PENTANOIC ACID
I1E800.77
CHS4-AMINO-5-CYCLOHEXYL-3-HYDROXY-
PENTANOIC ACID
I1EED0.77
CHS4-AMINO-5-CYCLOHEXYL-3-HYDROXY-
PENTANOIC ACID
I2ER00.77
CHFCYCLOHEXYLFLUOROSTATONEE1EPR0.71
CHFCYCLOHEXYLFLUOROSTATONEA,B1OD10.71
CHFCYCLOHEXYLFLUOROSTATONEA,I2JXR0.71
CHFCYCLOHEXYLFLUOROSTATONEA,B2VS20.71
CHFCYCLOHEXYLFLUOROSTATONEI1EPO0.71
CHFCYCLOHEXYLFLUOROSTATONEA,B2JJJ0.71
CHFCYCLOHEXYLFLUOROSTATONEA,B2JJI0.71