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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02301331

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
IKT3-(1-AMINOETHYL)NONANEDIOIC ACIDA1DAE0.8
NLK(2R,5S)-5-amino-2-butyl-4-oxononanoic acidA,B,I3DCK0.75
CPV5-AMINO-6-CYCLOHEXYL-4-HYDROXY-
2-ISOPROPYL-HEXANOIC ACID
I1IVQ0.72
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
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
CHGCYCLOHEXYL-GLYCINE2,3,48KME0.79
CHGCYCLOHEXYL-GLYCINEH,I4THN0.79
CHGCYCLOHEXYL-GLYCINEH,I,J7KME0.79
CHGCYCLOHEXYL-GLYCINEH,I5GDS0.79
AMHTRANS-4-AMINOMETHYLCYCLOHEXANE-
1-CARBOXYLIC ACID
A,B1CEB0.73
AMHTRANS-4-AMINOMETHYLCYCLOHEXANE-
1-CARBOXYLIC ACID
A1B2I0.73
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
GBN[1-(AMINOMETHYL)CYCLOHEXYL]ACETIC ACIDA,B2COJ0.71
GBN[1-(AMINOMETHYL)CYCLOHEXYL]ACETIC ACIDA,B,C2EJ30.71
GBN[1-(AMINOMETHYL)CYCLOHEXYL]ACETIC ACIDA,B2A1H0.71
GBN[1-(AMINOMETHYL)CYCLOHEXYL]ACETIC ACIDA,B2COI0.71
AC51-AMINOCYCLOPENTANECARBOXYLIC ACIDA,B1Y1M0.82
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
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-alanineI1HBT0.81
AHP2-AMINO-HEPTANOIC ACIDD1J4X0.72
3PA3-CYCLOPENTYL-PROPIONIC ACIDC1FAV0.72
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDD1D5Z0.81
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDH,I5GDS0.81
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDH,P2A2X0.81
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDD,H2FEQ0.81
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDH,P2ANK0.81
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDA,C,D3DPP0.81
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDA1EB10.81
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDD,H1NZQ0.81
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDI1HBT0.81
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDD1D6E0.81
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDA,B1B3H0.81
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDD,H2FES0.81
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDC,D,E,G,H3DPQ0.81
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDI1THS0.81
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDI1QUR0.81
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDA,B,C,D3DPO0.81
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDH,I4THN0.81
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDA,D1D5M0.81
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDD,H1O0D0.81
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
1YWH0.81
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDA1XRZ0.81
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDD1D5X0.81
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
XCP(1S,2S)-2-aminocyclopentanecarboxylic acidA3HF00.71
XCP(1S,2S)-2-aminocyclopentanecarboxylic acidA,B,D,E,F3FDM0.71
XCP(1S,2S)-2-aminocyclopentanecarboxylic acidA3C3H0.71
HHK(2S)-2,8-DIAMINOOCTANOIC ACIDA1XY80.74
C5B(1S,3R)-1-AMINOCYCLOPENTANE-1,3-
DICARBOXYLIC ACID
A,B2E4X0.71
C5A(1S,3S)-1-aminocyclopentane-1,3-
dicarboxylic acid
A,B2E4W0.71