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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03352917

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
1BHN-BENZYLOXYCARBONYL-ALA-PRO-3-AMINO-
4-PHENYL-BUTAN-2-OL
A1BH60.72
BFN5-(acetylamino)-2,6-anhydro-3,5,9-
trideoxy-3-fluoro-9-[(phenylcarbonyl)amino]-
D-arabino-L-galacto-nononic acid
A3B690.7
CY9(3S,3aR,4S,6S,6aR,7E,10S,12R,13E,15R,15aR)-
3-benzyl-6,12-dihydroxy-4,10,12-
trimethyl-5-methylidene-1,11-dioxo-
2,3,3a,4,5,6,6a,9,10,11,12,15-dodecahydro-
1H-cycloundeca[d]isoindol-15-yl acetate
A3EKU0.72
CY9(3S,3aR,4S,6S,6aR,7E,10S,12R,13E,15R,15aR)-
3-benzyl-6,12-dihydroxy-4,10,12-
trimethyl-5-methylidene-1,11-dioxo-
2,3,3a,4,5,6,6a,9,10,11,12,15-dodecahydro-
1H-cycloundeca[d]isoindol-15-yl acetate
A3EKS0.72
485[2-AMINO-3-(4-HYDROXY-PHENYL)-PROPIONYLAMINO]-
(3,4,5-TRIHYDROXY-6-METHYL-TETRAHYDRO-
PYRAN-2-YL)- ACETIC ACID
A1JIL0.72
BJP(1R)-2-PHENYLACETAMIDO-2-(3-CARBOXYPHENYL)ETHYL BORONIC ACIDA1ERO0.7
COCCOCAINEA,C1I7Z0.72
COCCOCAINEH1Q720.72
COCCOCAINEL2AJV0.72
COCCOCAINEA,B,C,D,E2PGZ0.72
DPC5-ACETYLAMINO-4-AMINO-6-(PHENETHYL-
PROPYL-CARBAMOYL)-5,6-DIHYDRO-4H-
PYRAN-2-CARBOXYLIC ACID
A,B1A4Q0.7
DPC5-ACETYLAMINO-4-AMINO-6-(PHENETHYL-
PROPYL-CARBAMOYL)-5,6-DIHYDRO-4H-
PYRAN-2-CARBOXYLIC ACID
A1BJI0.7
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
HTQHOMOTROPINEA,B,C2DQZ0.86
HTQHOMOTROPINEA,B,C,D,E,F1MX50.86
FKABENZYL-CARBAMIC ACID [8-DEETHYL-
ASCOMYCIN-8-YL]ETHYL ESTER
B1A7X0.71
568N,N-[2,5-O-DIBENZYL-GLUCARYL]-DI-
[1-AMINO-INDAN-2-OL]
B1WBK0.7
ESYbenzyl N-[(benzyloxy)carbonyl]-
L-alanyl-N~6~-[(2R,3S,4S)-3-formyl-
2-hydroxy-4-methylhexanoyl]-L-lysinate
K,Y3E470.71
383[2-AMINO-3-(4-HYDROXY-PHENYL)-PROPIONYLAMINO]-
(2,4,5,8-TETRAHYDROXY-7-OXA-2-
AZA-BICYCLO[3.2.1]OCT-3-YL)- ACETIC ACID
A1JII0.71
545[2-AMINO-3-(4-HYDROXY-PHENYL)-PROPIONYLAMINO]-
(1,3,4,5-TETRAHYDROXY-4-HYDROXYMETHYL-
PIPERIDIN-2-YL)- ACETIC ACID BUTYL ESTER
A1JIK0.71
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
A,B,M,N1FJM0.7
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
A1EVA0.7
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
A1LCM0.7
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
A,B,C,D,E,F,
G,H
2NYM0.7
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
C,I2IE30.7
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
C,F,X,Y2NPP0.7
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
A1EVC0.7
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
C,F,G,H3DW80.7
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
A,B,C,D,E,F,
G,H
2NYL0.7
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
A1EVD0.7
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
A1EVB0.7
BCG3-(BENZOYLOXY)-8-METHYL-8-AZABICYCLO[3.2.1]OCTANE-
2-CARBOXYLIC ACID
H1QYG0.74
BDUME-A-9-N-(BIPHENYL-4-CARBONYL)-
AMINO-9-DEOXY-NEU5AC
A1ODA0.73
BS1(3-EXO)-3-(10,11-DIHYDRO-5H-DIBENZO[A,D][7]ANNULEN-
5-YLOXY)-8,8-DIMETHYL-8-AZONIABICYCLO[3.2.1]OCTANE
A,F2W8F0.72
K2Zbenzyl [(1S)-1-{[(1S,2S)-1-ethyl-
2-hydroxy-3-{[3-(4-methylpiperazin-
1-yl)propyl]amino}-3-oxopropyl]carbamoyl}-
3-methylbutyl]carbamate
A2R9F0.7
BNDME-A-N-BENZOYL-AMINO-9-DEOXY-NEU5ACA1OD90.71