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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03020294

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
ZAL3-cyclohexyl-D-alanineI1HBT0.72
CAL5-AMINO-6-CYCLOHEXYL-4-HYDROXY-
2-ISOBUTYL-HEXANOIC ACID
A1FQ70.86
CAL5-AMINO-6-CYCLOHEXYL-4-HYDROXY-
2-ISOBUTYL-HEXANOIC ACID
I4ER10.86
CAL5-AMINO-6-CYCLOHEXYL-4-HYDROXY-
2-ISOBUTYL-HEXANOIC ACID
I3ER30.86
AFJ(2R,4S,5S)-N-butyl-4-hydroxy-2,7-
dimethyl-5-{[N-(4-methylpentanoyl)-
L-methionyl]amino}octanamide
A,B,C3DUY0.7
IKT3-(1-AMINOETHYL)NONANEDIOIC ACIDA1DAE0.71
XAOCYCLOHEXYLMETHYL-2,3-DIHYDROXY-
5-METHYL-HEXYLAMIDE
A1FQ60.74
XAOCYCLOHEXYLMETHYL-2,3-DIHYDROXY-
5-METHYL-HEXYLAMIDE
I,J1PSA0.74
XAOCYCLOHEXYLMETHYL-2,3-DIHYDROXY-
5-METHYL-HEXYLAMIDE
E,I1EPQ0.74
AR9(2R,4S)-N-butyl-4-[(2S,5S,7R)-2,7-
dimethyl-3,15-dioxo-1,4-diazacyclopentadecan-
5-yl]-4-hydroxy-2-methylbutanamide
A,B,C3DV10.81
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDD1D5Z0.72
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDH,I5GDS0.72
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDH,P2A2X0.72
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDD,H2FEQ0.72
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDH,P2ANK0.72
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDA,C,D3DPP0.72
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDA1EB10.72
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDD,H1NZQ0.72
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDI1HBT0.72
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDD1D6E0.72
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDA,B1B3H0.72
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDD,H2FES0.72
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDC,D,E,G,H3DPQ0.72
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDI1THS0.72
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDI1QUR0.72
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDA,B,C,D3DPO0.72
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDH,I4THN0.72
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDA,D1D5M0.72
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDD,H1O0D0.72
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
1YWH0.72
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDA1XRZ0.72
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDD1D5X0.72
NLK(2R,5S)-5-amino-2-butyl-4-oxononanoic acidA,B,I3DCK0.72
NLH(2R,5S)-5-amino-2-butyl-4,4-dihydroxynonanoic acidA,B,I3DCR0.74
LOV5-AMINO-4-HYDROXY-2-ISOPROPYL-7-
METHYL-OCTANOIC ACID
A,B1OEX0.79
LOV5-AMINO-4-HYDROXY-2-ISOPROPYL-7-
METHYL-OCTANOIC ACID
A,B,I8HVP0.79
LOV5-AMINO-4-HYDROXY-2-ISOPROPYL-7-
METHYL-OCTANOIC ACID
A,B1GKT0.79
LOV5-AMINO-4-HYDROXY-2-ISOPROPYL-7-
METHYL-OCTANOIC ACID
E,I2ER70.79
STASTATINEE1EPP0.73
STASTATINEI1XN30.73
STASTATINEA,B,I,J2FIV0.73
STASTATINEA,B,C,D1QS80.73
STASTATINEA,B2RMP0.73
STASTATINEE,I1APU0.73
STASTATINEA,I1GVU0.73
STASTATINEI3ER50.73
STASTATINEI2ER90.73
STASTATINEE,I4ER20.73
STASTATINEA,C,I,J,K2B7F0.73
STASTATINEA,B,C5HVP0.73
STASTATINEA,I1GVV0.73
STASTATINEA,I1WKR0.73
STASTATINEI5APR0.73
STASTATINEI1PSO0.73
STASTATINEI6APR0.73
STASTATINEA1FQ50.73
STASTATINEA,I3FNT0.73
STASTATINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
3FV30.73
STASTATINEA,B,C,D,I,J1LYB0.73
STASTATINEB1FIV0.73
STASTATINEI4APR0.73
CFS4-AMINO-5-CYCLOHEXYL-2,2-DIFLUORO-
3-HYDROXY-PENTANOIC ACID
A1FQ80.74
U0EN-[[1-[N-ACETAMIDYL]-[1-CYCLOHEXYLMETHYL-
2-HYDROXY-4-ISOPROPYL]-BUT-4-YL]-
CARBONYL]-GLUTAMINYL-ARGINYL-AMIDE
B1GNO0.72
U0EN-[[1-[N-ACETAMIDYL]-[1-CYCLOHEXYLMETHYL-
2-HYDROXY-4-ISOPROPYL]-BUT-4-YL]-
CARBONYL]-GLUTAMINYL-ARGINYL-AMIDE
B1A9M0.72
U0EN-[[1-[N-ACETAMIDYL]-[1-CYCLOHEXYLMETHYL-
2-HYDROXY-4-ISOPROPYL]-BUT-4-YL]-
CARBONYL]-GLUTAMINYL-ARGINYL-AMIDE
A1AXA0.72
U0EN-[[1-[N-ACETAMIDYL]-[1-CYCLOHEXYLMETHYL-
2-HYDROXY-4-ISOPROPYL]-BUT-4-YL]-
CARBONYL]-GLUTAMINYL-ARGINYL-AMIDE
A1GNM0.72
U0EN-[[1-[N-ACETAMIDYL]-[1-CYCLOHEXYLMETHYL-
2-HYDROXY-4-ISOPROPYL]-BUT-4-YL]-
CARBONYL]-GLUTAMINYL-ARGINYL-AMIDE
A1GNN0.72
LPLLEU-HYDROXYETHYLENE-LEUB,D,F,H1SMR0.82
NORCYCLOHEXYL-NORSTATINEE,I1EPN0.73
NORCYCLOHEXYL-NORSTATINEP1CZI0.73
NORCYCLOHEXYL-NORSTATINEA,I1GVT0.73
CAV5-AMINO-6-CYCLOHEXYL-3,4-DIHYDROXY-
2-ISOPROPYL-HEXANOIC ACID
A,B,I1HIV0.76
CAV5-AMINO-6-CYCLOHEXYL-3,4-DIHYDROXY-
2-ISOPROPYL-HEXANOIC ACID
I1IVP0.76
CHGCYCLOHEXYL-GLYCINE2,3,48KME0.7
CHGCYCLOHEXYL-GLYCINEH,I4THN0.7
CHGCYCLOHEXYL-GLYCINEH,I,J7KME0.7
CHGCYCLOHEXYL-GLYCINEH,I5GDS0.7
PCE2-(3-AMINO-4-CYCLOHEXYL-2-HYDROXY-
BUTYL)-PENT-4-YNOIC ACID
A1FQ40.78
CPV5-AMINO-6-CYCLOHEXYL-4-HYDROXY-
2-ISOPROPYL-HEXANOIC ACID
I1IVQ0.82
CHS4-AMINO-5-CYCLOHEXYL-3-HYDROXY-
PENTANOIC ACID
I1E800.78
CHS4-AMINO-5-CYCLOHEXYL-3-HYDROXY-
PENTANOIC ACID
I1EED0.78
CHS4-AMINO-5-CYCLOHEXYL-3-HYDROXY-
PENTANOIC ACID
I2ER00.78