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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02842225

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1MRA0.73
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1MNS0.73
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1DTN0.73
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1MDR0.73
SMN(S)-MANDELIC ACIDA1MDL0.72
HC7(2S)-2-[4'-({dimethyl[2-(phosphonooxy)ethyl]ammonio}acetyl)biphenyl-
4-yl]-2-hydroxy-4,4-dimethylmorpholin-
4-ium
A3FEG0.74
OIN(1R,5S)-8-METHYL-8-AZABICYCLO[3.2.1]OCT-
3-YL (2R)-3-HYDROXY-2-PHENYLPROPANOATE
A1TH60.78
OIN(1R,5S)-8-METHYL-8-AZABICYCLO[3.2.1]OCT-
3-YL (2R)-3-HYDROXY-2-PHENYLPROPANOATE
A2ARM0.78
PH52-PHENYL-PROP5ACA,B2BVE0.71
HC6(2S,2'S)-2,2'-biphenyl-4,4'-diylbis(2-
hydroxy-4,4-dimethylmorpholin-4-
ium)
A,B3F2R0.75
HC6(2S,2'S)-2,2'-biphenyl-4,4'-diylbis(2-
hydroxy-4,4-dimethylmorpholin-4-
ium)
A,B3G150.75
BJP(1R)-2-PHENYLACETAMIDO-2-(3-CARBOXYPHENYL)ETHYL BORONIC ACIDA1ERO0.7
BCG3-(BENZOYLOXY)-8-METHYL-8-AZABICYCLO[3.2.1]OCTANE-
2-CARBOXYLIC ACID
H1QYG0.72
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,F2W8F0.73
HTQHOMOTROPINEA,B,C2DQZ0.86
HTQHOMOTROPINEA,B,C,D,E,F1MX50.86
KI23-BENZYLOXYCARBONYLAMINO-2-HYDROXY-
4-PHENYL-BUTYRIC ACID
A,B,I,J1NH00.73
KI23-BENZYLOXYCARBONYLAMINO-2-HYDROXY-
4-PHENYL-BUTYRIC ACID
I1U8G0.73
SBX1-CYCLOHEXYL-3-PHENYL-1-PROPYL-
1-(3,3-DIMETHYL-1,2-DIOXYPENTYL)-
2-PIPERIDINE CARBOXYLATE
A1FKH0.72
COCCOCAINEA,C1I7Z0.7
COCCOCAINEH1Q720.7
COCCOCAINEL2AJV0.7
COCCOCAINEA,B,C,D,E2PGZ0.7
RMN(R)-MANDELIC ACIDA1MDL0.72
RMN(R)-MANDELIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
1MCZ0.72
2PMN-[2-(BENZHYDRYLOXY)ETHYL]-N,N-
DIMETHYLAMINE
A,B2AOT0.71
SB31,3-DIPHENYL-1-PROPYL-1-(3,3-DIMETHYL-
1,2-DIOXYPENTYL)-2-PIPERIDINE CARBOXYLATE
A1FKG0.76
LOBLOBELINEA,B,C,D,E,F,
G,H,I,J
2BYS0.78