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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03909601

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
U17METHYL N-[(2S,3R)-3-AMINO-2-HYDROXYHEPTANOYL]-
L-SERYL-L-LEUCINATE
A2GGB0.73
CCLN~6~-[(CYCLOPENTYLOXY)CARBONYL]-
D-LYSINE
A2Q7G0.76
LNTN-[(2S)-2-amino-1,1-dihydroxy-4-
methylpentyl]-L-threonine
A,B,C3B800.75
LNTN-[(2S)-2-amino-1,1-dihydroxy-4-
methylpentyl]-L-threonine
A,B,C3B7V0.75
59AN-{[(2S,3S)-3-(ETHOXYCARBONYL)OXIRAN-
2-YL]CARBONYL}-L-ISOLEUCINE
A2DC80.71
HLUBETA-HYDROXYLEUCINEA1ROV0.7
IVS3-HYDROXY-6-METHYL-4-(3-METHYL-
2-(3-METHYL-2-(3-METHYL-BUTYRYLAMINO)-
BUTYRYLAMINO)-BUTYRYLAMINO)-HEPTANOIC ACID ETHYL ESTER
A,B1ME60.79
MNL4,N-DIMETHYLNORLEUCINEC1CWC0.7
N10O-[(HEXYLAMINO)CARBONYL]-L-SERINEA,B,C,D,E,F,
G,H
2Q0S0.71
TMD(6,7-DIHYDRO)4-[(E)-BUTENYL]-4,N-
DIMETHYL-THREONINE
C1CWK0.77
5FP5,5,5-TRIFLUORO-3-HYDROXY-4-[2-
(5,5,5-TRIFLUORO-3-HYDROXY-4-{3-
METHYL-2-[3-METHYL-2-(3-METHYL-
BUTYRYLAMINO)-BUTYRYLAMINO]-BUTYRYLAMINO}-
PENTANOYLAMINO)-PROPIONYLAMINO]-
PENTANOIC ACID
A,B1XE60.7
LBYN~6~-(TERT-BUTOXYCARBONYL)-L-LYSINEA2ZIN0.78
HC5(R)-3-CARBOXY-2-(HEXANOYLOXY)-N,N,N-
TRIMETHYLPROPAN-1-AMINIUM
A,B2H3W0.71
CHS4-AMINO-5-CYCLOHEXYL-3-HYDROXY-
PENTANOIC ACID
I1E800.71
CHS4-AMINO-5-CYCLOHEXYL-3-HYDROXY-
PENTANOIC ACID
I1EED0.71
CHS4-AMINO-5-CYCLOHEXYL-3-HYDROXY-
PENTANOIC ACID
I2ER00.71
5FE5,5,5-TRIFLUORO-3-HYDROXY-4-[2-
(5,5,5-TRIFLUORO-3-HYDROXY-4-{3-
METHYL-2-[3-METHYL-2-(3-METHYL-
BUTYRYLAMINO)-BUTYRYLAMINO]-BUTYRYLAMINO}-
PENTANOYLAMINO)-PROPIONYLAMINO]-
PENTANOIC ACID METHYL ESTER
A,B1XE50.71
DH9(2S,3S,5S)-5-[(N-FORMYL-L-LEUCYL)OXY]-
2-HEXYL-3-HYDROXYHEXADECANOIC ACID
A,B2PX60.74
0AGN-(ethoxycarbonyl)-L-leucineI,J1PSA0.8
E6CN-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
2-METHYL-BUTANE
A1PPP0.75
E6CN-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
2-METHYL-BUTANE
A1PE60.75
E6CN-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
2-METHYL-BUTANE
A1ITO0.75
LTA4,8-DIAMINO-3-HYDROXY-OCTANOIC ACID ETHYL ESTERE,I1APT0.7
DFI2,2-DIFLUOROSTATINEE,I1APW0.72
IHNN-(3-methylbutanoyl)-L-valyl-N-
[(1R,2R)-4-{[(1R)-2-({(1R)-1-[(1R)-
2-carboxy-1-hydroxyethyl]-3-methylbutyl}amino)-
1-methyl-2-oxoethyl]amino}-2-hydroxy-
1-(2-methylpropyl)-4-oxobutyl]-
L-valinamide
A3EMY0.75
IHNN-(3-methylbutanoyl)-L-valyl-N-
[(1R,2R)-4-{[(1R)-2-({(1R)-1-[(1R)-
2-carboxy-1-hydroxyethyl]-3-methylbutyl}amino)-
1-methyl-2-oxoethyl]amino}-2-hydroxy-
1-(2-methylpropyl)-4-oxobutyl]-
L-valinamide
A2H6T0.75
IHNN-(3-methylbutanoyl)-L-valyl-N-
[(1R,2R)-4-{[(1R)-2-({(1R)-1-[(1R)-
2-carboxy-1-hydroxyethyl]-3-methylbutyl}amino)-
1-methyl-2-oxoethyl]amino}-2-hydroxy-
1-(2-methylpropyl)-4-oxobutyl]-
L-valinamide
A,B1LS50.75
IHNN-(3-methylbutanoyl)-L-valyl-N-
[(1R,2R)-4-{[(1R)-2-({(1R)-1-[(1R)-
2-carboxy-1-hydroxyethyl]-3-methylbutyl}amino)-
1-methyl-2-oxoethyl]amino}-2-hydroxy-
1-(2-methylpropyl)-4-oxobutyl]-
L-valinamide
A,B1SME0.75
IHNN-(3-methylbutanoyl)-L-valyl-N-
[(1R,2R)-4-{[(1R)-2-({(1R)-1-[(1R)-
2-carboxy-1-hydroxyethyl]-3-methylbutyl}amino)-
1-methyl-2-oxoethyl]amino}-2-hydroxy-
1-(2-methylpropyl)-4-oxobutyl]-
L-valinamide
A,C1W6I0.75
IHNN-(3-methylbutanoyl)-L-valyl-N-
[(1R,2R)-4-{[(1R)-2-({(1R)-1-[(1R)-
2-carboxy-1-hydroxyethyl]-3-methylbutyl}amino)-
1-methyl-2-oxoethyl]amino}-2-hydroxy-
1-(2-methylpropyl)-4-oxobutyl]-
L-valinamide
A,B1XDH0.75
IHNN-(3-methylbutanoyl)-L-valyl-N-
[(1R,2R)-4-{[(1R)-2-({(1R)-1-[(1R)-
2-carboxy-1-hydroxyethyl]-3-methylbutyl}amino)-
1-methyl-2-oxoethyl]amino}-2-hydroxy-
1-(2-methylpropyl)-4-oxobutyl]-
L-valinamide
A,B2QZX0.75
IHNN-(3-methylbutanoyl)-L-valyl-N-
[(1R,2R)-4-{[(1R)-2-({(1R)-1-[(1R)-
2-carboxy-1-hydroxyethyl]-3-methylbutyl}amino)-
1-methyl-2-oxoethyl]amino}-2-hydroxy-
1-(2-methylpropyl)-4-oxobutyl]-
L-valinamide
A1IZE0.75
IHNN-(3-methylbutanoyl)-L-valyl-N-
[(1R,2R)-4-{[(1R)-2-({(1R)-1-[(1R)-
2-carboxy-1-hydroxyethyl]-3-methylbutyl}amino)-
1-methyl-2-oxoethyl]amino}-2-hydroxy-
1-(2-methylpropyl)-4-oxobutyl]-
L-valinamide
A,B1M430.75
STASTATINEE1EPP0.77
STASTATINEI1XN30.77
STASTATINEA,B,I,J2FIV0.77
STASTATINEA,B,C,D1QS80.77
STASTATINEA,B2RMP0.77
STASTATINEE,I1APU0.77
STASTATINEA,I1GVU0.77
STASTATINEI3ER50.77
STASTATINEI2ER90.77
STASTATINEE,I4ER20.77
STASTATINEA,C,I,J,K2B7F0.77
STASTATINEA,B,C5HVP0.77
STASTATINEA,I1GVV0.77
STASTATINEA,I1WKR0.77
STASTATINEI5APR0.77
STASTATINEI1PSO0.77
STASTATINEI6APR0.77
STASTATINEA1FQ50.77
STASTATINEA,I3FNT0.77
STASTATINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
3FV30.77
STASTATINEA,B,C,D,I,J1LYB0.77
STASTATINEB1FIV0.77
STASTATINEI4APR0.77