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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02321534

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
AEF4-(2-aminoethyl)phenolA3BRA0.82
3XH3-Hydroxyhippuric acidA3E9K0.75
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
AEG4-[(2R)-2-aminopropyl]phenolA3BUF0.8
7901,2,3,4-TETRAHYDROQUINOLIN-8-YL DIHYDROGEN PHOSPHATEA1O4F0.72
AHT4-(2,5-DIAMINO-5-HYDROXY-PENTYL)-
PHENOL
I,T1TMB0.81
4BA4-[(2-CARBOXY-ETHYLAMINO)-METHYL]-
BENZOIC ACID
C1FAV0.72
4HL4-(HYDRAZINOMETHYL)PHENOLA,B2E2U0.78
2LP2-ALLYLPHENOLA1OV50.73
ANMANISOMYCIN1,2,4,A,B,C,
D,E,J,K,L,M,
N,O,P,R,S,T,
U,V,Z
1K730.72
ANMANISOMYCIN0,1,3,9,A,B,
C,F,H,J,K,L,
M,N,O,Q,R,S,
T,U,Y,Z
3CC40.72
2TN2-(4-(2-HYDROXY-3-(ISOPROPYLAMINO)PROPOXY)PHENYL)ETHANAMIDEA2OTF0.71
2TN2-(4-(2-HYDROXY-3-(ISOPROPYLAMINO)PROPOXY)PHENYL)ETHANAMIDEA2NUV0.71
2TN2-(4-(2-HYDROXY-3-(ISOPROPYLAMINO)PROPOXY)PHENYL)ETHANAMIDEA2OUB0.71
AED4-(2-aminoethyl)-2-cyclohexylphenolA3BUH0.78
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
2FZS0.71
1082-(5-CARBAMIMIDOYL-2-HYDROXY-BENZYLAMINO)-
PROPIONIC ACID
A1G3B0.79
1082-(5-CARBAMIMIDOYL-2-HYDROXY-BENZYLAMINO)-
PROPIONIC ACID
A1G3D0.79
247(3R)-3-amino-2,2-difluoro-3-(4-
hydroxyphenyl)propanoic acid
A,B2QVE0.73
1092-(4-CARBAMIMIDOYL-2-HYDROXY-BENZYLAMINO)-
PROPIONIC ACID
A1G3C0.79
1092-(4-CARBAMIMIDOYL-2-HYDROXY-BENZYLAMINO)-
PROPIONIC ACID
A1G3E0.79
2AC2-AMINO-P-CRESOLH,I1A2C0.72
2AC2-AMINO-P-CRESOLA1L4M0.72
CJO[(2R,4R)-2-[(1R,2R)-1-amino-2-hydroxypropyl]-
4-(4-hydroxybenzyl)-5-oxoimidazolidin-
1-yl]acetic acid
A2QT20.71
AEH4-(2-aminoethyl)-2-ethylphenolA3BUG0.81
ALEL-EPINEPHRINEA3PAH0.81
ALEL-EPINEPHRINEA2HKK0.81