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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03480451

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
AEF4-(2-aminoethyl)phenolA3BRA0.83
15M(5Z)-7-{(1R,2R,3R,5S)-3,5-DIHYDROXY-
2-[(1E,3S)-3-HYDROXY-5-PHENYLPENT-
1-ENYL]CYCLOPENTYL}-N-ETHYLHEPT-
5-ENAMIDE
A2F380.71
B3Y(3S)-3-AMINO-4-(4-HYDROXYPHENYL)BUTANOIC ACIDA3HF00.75
B3Y(3S)-3-AMINO-4-(4-HYDROXYPHENYL)BUTANOIC ACIDA2OXK0.75
B3Y(3S)-3-AMINO-4-(4-HYDROXYPHENYL)BUTANOIC ACIDA,B,C2OXJ0.75
BJH1(R)-1-ACETAMIDO-2-(3-CARBOXY-2-
HYDROXYPHENYL)ETHYL BORONIC ACID
A1ERQ0.75
CJO[(2R,4R)-2-[(1R,2R)-1-amino-2-hydroxypropyl]-
4-(4-hydroxybenzyl)-5-oxoimidazolidin-
1-yl]acetic acid
A2QT20.73
4HL4-(HYDRAZINOMETHYL)PHENOLA,B2E2U0.73
1082-(5-CARBAMIMIDOYL-2-HYDROXY-BENZYLAMINO)-
PROPIONIC ACID
A1G3B0.72
1082-(5-CARBAMIMIDOYL-2-HYDROXY-BENZYLAMINO)-
PROPIONIC ACID
A1G3D0.72
2TN2-(4-(2-HYDROXY-3-(ISOPROPYLAMINO)PROPOXY)PHENYL)ETHANAMIDEA2OTF0.72
2TN2-(4-(2-HYDROXY-3-(ISOPROPYLAMINO)PROPOXY)PHENYL)ETHANAMIDEA2NUV0.72
2TN2-(4-(2-HYDROXY-3-(ISOPROPYLAMINO)PROPOXY)PHENYL)ETHANAMIDEA2OUB0.72
AEH4-(2-aminoethyl)-2-ethylphenolA3BUG0.85
1092-(4-CARBAMIMIDOYL-2-HYDROXY-BENZYLAMINO)-
PROPIONIC ACID
A1G3C0.74
1092-(4-CARBAMIMIDOYL-2-HYDROXY-BENZYLAMINO)-
PROPIONIC ACID
A1G3E0.74
8PP2-[(2E,6E,10E,14E,18E,22E,26E)-
3,7,11,15,19,23,27,31-OCTAMETHYLDOTRIACONTA-
2,6,10,14,18,22,26,30-OCTAENYL]PHENOL
A,B,C,D1Y0G0.73
ALEL-EPINEPHRINEA3PAH0.86
ALEL-EPINEPHRINEA2HKK0.86
AED4-(2-aminoethyl)-2-cyclohexylphenolA3BUH0.8
CMQN~2~-[(BENZYLOXY)CARBONYL]-N-[(1S,2S)-
2-HYDROXY-1-(4-HYDROXYBENZYL)PROPYL]-
L-LEUCINAMIDE
A,B,C,D,E,F,
G,H,I,J,K,L,
M,N
2FZS0.73
2LP2-ALLYLPHENOLA1OV50.75
AEG4-[(2R)-2-aminopropyl]phenolA3BUF0.84
2MP3,4-DIMETHYLPHENOLA1L5O0.71
BM43-[(3R)-3-ethyl-1-{9-[(3S)-3-ethyl-
3-(3-hydroxyphenyl)azepan-1-yl]nonyl}azepan-
3-yl]phenol
X2W6C0.7
ANMANISOMYCIN1,2,4,A,B,C,
D,E,J,K,L,M,
N,O,P,R,S,T,
U,V,Z
1K730.74
ANMANISOMYCIN0,1,3,9,A,B,
C,F,H,J,K,L,
M,N,O,Q,R,S,
T,U,Y,Z
3CC40.74
AHT4-(2,5-DIAMINO-5-HYDROXY-PENTYL)-
PHENOL
I,T1TMB0.84