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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00004058

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
2ML2-METHYLLEUCINEA,B,C1I1L0.74
2ML2-METHYLLEUCINEA2RM90.74
2ML2-METHYLLEUCINEA2RMD0.74
DIQ2-METHYL-DECAHYDRO-ISOQUINOLINE-
3-CARBOXYLIC ACID
A,B1HXB0.7
DIQ2-METHYL-DECAHYDRO-ISOQUINOLINE-
3-CARBOXYLIC ACID
A,B2FGU0.7
DIQ2-METHYL-DECAHYDRO-ISOQUINOLINE-
3-CARBOXYLIC ACID
A,B2FGV0.7
DIQ2-METHYL-DECAHYDRO-ISOQUINOLINE-
3-CARBOXYLIC ACID
A,B1MTB0.7
IKT3-(1-AMINOETHYL)NONANEDIOIC ACIDA1DAE0.8
NLK(2R,5S)-5-amino-2-butyl-4-oxononanoic acidA,B,I3DCK0.75
CHFCYCLOHEXYLFLUOROSTATONEE1EPR0.74
CHFCYCLOHEXYLFLUOROSTATONEA,B1OD10.74
CHFCYCLOHEXYLFLUOROSTATONEA,I2JXR0.74
CHFCYCLOHEXYLFLUOROSTATONEA,B2VS20.74
CHFCYCLOHEXYLFLUOROSTATONEI1EPO0.74
CHFCYCLOHEXYLFLUOROSTATONEA,B2JJJ0.74
CHFCYCLOHEXYLFLUOROSTATONEA,B2JJI0.74
GBN[1-(AMINOMETHYL)CYCLOHEXYL]ACETIC ACIDA,B2COJ0.77
GBN[1-(AMINOMETHYL)CYCLOHEXYL]ACETIC ACIDA,B,C2EJ30.77
GBN[1-(AMINOMETHYL)CYCLOHEXYL]ACETIC ACIDA,B2A1H0.77
GBN[1-(AMINOMETHYL)CYCLOHEXYL]ACETIC ACIDA,B2COI0.77
NLH(2R,5S)-5-amino-2-butyl-4,4-dihydroxynonanoic acidA,B,I3DCR0.75
KAP7-KETO-8-AMINOPELARGONIC ACIDA,B1QJ30.73
KAP7-KETO-8-AMINOPELARGONIC ACIDA,B,C,D3FMI0.73
KAP7-KETO-8-AMINOPELARGONIC ACIDA,B3DU40.73
CFS4-AMINO-5-CYCLOHEXYL-2,2-DIFLUORO-
3-HYDROXY-PENTANOIC ACID
A1FQ80.71
CAL5-AMINO-6-CYCLOHEXYL-4-HYDROXY-
2-ISOBUTYL-HEXANOIC ACID
A1FQ70.73
CAL5-AMINO-6-CYCLOHEXYL-4-HYDROXY-
2-ISOBUTYL-HEXANOIC ACID
I4ER10.73
CAL5-AMINO-6-CYCLOHEXYL-4-HYDROXY-
2-ISOBUTYL-HEXANOIC ACID
I3ER30.73
DOA12-AMINO-DODECANOIC ACIDB1EOJ0.72
DOA12-AMINO-DODECANOIC ACIDA,D1H8T0.72
DOA12-AMINO-DODECANOIC ACIDA2DCX0.72
DOA12-AMINO-DODECANOIC ACIDB1EOL0.72
MNL4,N-DIMETHYLNORLEUCINEC1CWC0.72
ZDR(2R,6S)-2,6-DIAMINO-2-METHYLHEPTANEDIOIC ACIDA,B,C,D,E,F3EKM0.81
ZDR(2R,6S)-2,6-DIAMINO-2-METHYLHEPTANEDIOIC ACIDA2GKJ0.81
AMHTRANS-4-AMINOMETHYLCYCLOHEXANE-
1-CARBOXYLIC ACID
A,B1CEB0.79
AMHTRANS-4-AMINOMETHYLCYCLOHEXANE-
1-CARBOXYLIC ACID
A1B2I0.79
CHGCYCLOHEXYL-GLYCINE2,3,48KME0.85
CHGCYCLOHEXYL-GLYCINEH,I4THN0.85
CHGCYCLOHEXYL-GLYCINEH,I,J7KME0.85
CHGCYCLOHEXYL-GLYCINEH,I5GDS0.85
ZDP(2S,6S)-2,6-DIAMINO-2-METHYLHEPTANEDIOIC ACIDA,B,C,D,E,F3EJX0.81
ZDP(2S,6S)-2,6-DIAMINO-2-METHYLHEPTANEDIOIC ACIDA2GKE0.81
CPV5-AMINO-6-CYCLOHEXYL-4-HYDROXY-
2-ISOPROPYL-HEXANOIC ACID
I1IVQ0.76
DNN7,8-DIAMINO-NONANOIC ACIDA1DAH0.71
DNN7,8-DIAMINO-NONANOIC ACIDA1A820.71
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
ZAL3-cyclohexyl-D-alanineI1HBT0.87
AHP2-AMINO-HEPTANOIC ACIDD1J4X0.72
CHS4-AMINO-5-CYCLOHEXYL-3-HYDROXY-
PENTANOIC ACID
I1E800.75
CHS4-AMINO-5-CYCLOHEXYL-3-HYDROXY-
PENTANOIC ACID
I1EED0.75
CHS4-AMINO-5-CYCLOHEXYL-3-HYDROXY-
PENTANOIC ACID
I2ER00.75
CXPCYCLOHEXANE PROPIONIC ACIDA,B2AY20.74
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDD1D5Z0.87
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDH,I5GDS0.87
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDH,P2A2X0.87
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDD,H2FEQ0.87
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDH,P2ANK0.87
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDA,C,D3DPP0.87
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDA1EB10.87
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDD,H1NZQ0.87
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDI1HBT0.87
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDD1D6E0.87
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDA,B1B3H0.87
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDD,H2FES0.87
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDC,D,E,G,H3DPQ0.87
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDI1THS0.87
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDI1QUR0.87
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDA,B,C,D3DPO0.87
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDH,I4THN0.87
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDA,D1D5M0.87
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDD,H1O0D0.87
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
1YWH0.87
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDA1XRZ0.87
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDD1D5X0.87
LNG12-METHYLTRIDECANOIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L
1W3M0.72
LPLLEU-HYDROXYETHYLENE-LEUB,D,F,H1SMR0.71
PB13-(2-AMINOETHYL)-4-(AMINOMETHYL)HEPTANEDIOIC ACIDA,B1PV80.74
HHK(2S)-2,8-DIAMINOOCTANOIC ACIDA1XY80.74
AC51-AMINOCYCLOPENTANECARBOXYLIC ACIDA,B1Y1M0.76