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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02336190

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
3PA3-CYCLOPENTYL-PROPIONIC ACIDC1FAV0.71
0PAcyclopentylacetic acidA,B3DWR0.71
BIL(3R,4S)-3-amino-4-methylhexanoic acidA,B,C3HEZ0.7
BIL(3R,4S)-3-amino-4-methylhexanoic acidA,B,C,D3C3F0.7
BIL(3R,4S)-3-amino-4-methylhexanoic acidA3HF00.7
BIL(3R,4S)-3-amino-4-methylhexanoic acidA3C3G0.7
XCP(1S,2S)-2-aminocyclopentanecarboxylic acidA3HF00.74
XCP(1S,2S)-2-aminocyclopentanecarboxylic acidA,B,D,E,F3FDM0.74
XCP(1S,2S)-2-aminocyclopentanecarboxylic acidA3C3H0.74
HHK(2S)-2,8-DIAMINOOCTANOIC ACIDA1XY80.71
NPI2-AMINOPIMELIC ACIDA2TDT0.72
NPI2-AMINOPIMELIC ACIDA1KGQ0.72
6CL6-CARBOXYLYSINEU2AIZ0.7
C5B(1S,3R)-1-AMINOCYCLOPENTANE-1,3-
DICARBOXYLIC ACID
A,B2E4X0.73
AC51-AMINOCYCLOPENTANECARBOXYLIC ACIDA,B1Y1M0.85
API2,6-DIAMINOPIMELIC ACIDA,B1E8C0.7
API2,6-DIAMINOPIMELIC ACIDA2DAP0.7
API2,6-DIAMINOPIMELIC ACIDE,S148L0.7
C5A(1S,3S)-1-aminocyclopentane-1,3-
dicarboxylic acid
A,B2E4W0.73
NLH(2R,5S)-5-amino-2-butyl-4,4-dihydroxynonanoic acidA,B,I3DCR0.72
ZAL3-cyclohexyl-D-alanineI1HBT0.78
LOV5-AMINO-4-HYDROXY-2-ISOPROPYL-7-
METHYL-OCTANOIC ACID
A,B1OEX0.71
LOV5-AMINO-4-HYDROXY-2-ISOPROPYL-7-
METHYL-OCTANOIC ACID
A,B,I8HVP0.71
LOV5-AMINO-4-HYDROXY-2-ISOPROPYL-7-
METHYL-OCTANOIC ACID
A,B1GKT0.71
LOV5-AMINO-4-HYDROXY-2-ISOPROPYL-7-
METHYL-OCTANOIC ACID
E,I2ER70.71
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDD1D5Z0.78
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDH,I5GDS0.78
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDH,P2A2X0.78
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDD,H2FEQ0.78
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDH,P2ANK0.78
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDA,C,D3DPP0.78
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDA1EB10.78
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDD,H1NZQ0.78
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDI1HBT0.78
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDD1D6E0.78
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDA,B1B3H0.78
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDD,H2FES0.78
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDC,D,E,G,H3DPQ0.78
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDI1THS0.78
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDI1QUR0.78
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDA,B,C,D3DPO0.78
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDH,I4THN0.78
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDA,D1D5M0.78
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDD,H1O0D0.78
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
1YWH0.78
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDA1XRZ0.78
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDD1D5X0.78
NLK(2R,5S)-5-amino-2-butyl-4-oxononanoic acidA,B,I3DCK0.72
AMHTRANS-4-AMINOMETHYLCYCLOHEXANE-
1-CARBOXYLIC ACID
A,B1CEB0.75
AMHTRANS-4-AMINOMETHYLCYCLOHEXANE-
1-CARBOXYLIC ACID
A1B2I0.75
CHGCYCLOHEXYL-GLYCINE2,3,48KME0.79
CHGCYCLOHEXYL-GLYCINEH,I4THN0.79
CHGCYCLOHEXYL-GLYCINEH,I,J7KME0.79
CHGCYCLOHEXYL-GLYCINEH,I5GDS0.79
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
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
MNL4,N-DIMETHYLNORLEUCINEC1CWC0.71
AHP2-AMINO-HEPTANOIC ACIDD1J4X0.75
IKT3-(1-AMINOETHYL)NONANEDIOIC ACIDA1DAE0.77
PB13-(2-AMINOETHYL)-4-(AMINOMETHYL)HEPTANEDIOIC ACIDA,B1PV80.73
2ML2-METHYLLEUCINEA,B,C1I1L0.76
2ML2-METHYLLEUCINEA2RM90.76
2ML2-METHYLLEUCINEA2RMD0.76