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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00703504

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
SKA7,8-DICHLORO-1,2,3,4-TETRAHYDROISOQUINOLINEA,B1YZ30.73
CLDD-PARA-CHLOROPHENYL-1-ACTEAMIDOBORONIC ACID ALANINEA1AVT0.72
HDB(R)-1-(4-(4-(HYDROXYMETHYL)-1,3,2-
DIOXABOROLAN-2-YL)BENZYL)GUANIDINE
A1ZMJ0.7
V35D-1-(4-CHLOROPHENYL)-2-(ACETAMIDO)ETHANE BORONIC ACIDB,C2VGC0.74
PHK(2R,3S)-3-AMINO-1-CHLORO-4-PHENYL-
BUTAN-2-OL
A1MU00.72
PHK(2R,3S)-3-AMINO-1-CHLORO-4-PHENYL-
BUTAN-2-OL
A1XRL0.72
PHLL-PHENYLALANINOLA,B1JOH0.7
PHLL-PHENYLALANINOLI3APR0.7
PHLL-PHENYLALANINOLA1DLZ0.7
PHLL-PHENYLALANINOLA1IH90.7
PHLL-PHENYLALANINOLA1OB40.7
PHLL-PHENYLALANINOLI2ER60.7
PHLL-PHENYLALANINOLA1R9U0.7
PHLL-PHENYLALANINOLA1OB70.7
PHLL-PHENYLALANINOLA,B1OB60.7
PHLL-PHENYLALANINOLA,B,C1AMT0.7
SK3(1R,2R,3S,4S,5R)-5-(BENZYLAMINO)CYCLOPENTANE-
1,2,3,4-TETROL
A2F7R0.73
PDH(2S)-2-AMINO-3-PHENYL-1-PROPANOLA1GQ00.7
MN21-CARBOXYETHYLAMINOMETHYL-4-AMINOMETHYLBENZENEN1NLO0.73
C2B1-(4-CHLOROPHENYL)METHANAMINED,H2Q7Q0.75
CLBD-PARA-CHLOROPHENYL-1-ACETAMIDOBORONIC ACID ALANINEA1VSB0.72
CRP((1RS,3SR)-2,2-DICHLORO-N-[(R)-
1-(4-CHLOROPHENYL)ETHYL]-1-ETHYL-
3-METHYLCYCLOPROPANECARBOXAMIDE
A2STD0.71
CRP((1RS,3SR)-2,2-DICHLORO-N-[(R)-
1-(4-CHLOROPHENYL)ETHYL]-1-ETHYL-
3-METHYLCYCLOPROPANECARBOXAMIDE
A,B,C7STD0.71
GB1(2R,3R,4S)-2-({[(1R)-2-HYDROXY-
1-PHENYLETHYL]AMINO}METHYL)PYRROLIDINE-
3,4-DIOL
A2F180.71
C2A1-(3-CHLOROPHENYL)METHANAMINEB,I2C8Z0.75
271N-methyl-1-phenylmethanamineX2RBT0.72
GB2(2R,3R,4S)-2-({[(1S)-2-HYDROXY-
1-PHENYLETHYL]AMINO}METHYL)PYRROLIDINE-
3,4-DIOL
A2F1A0.71
LAZN-(2-AMINOETHYL)-P-CHLOROBENZAMIDEA,B1OJC0.76
BNFN-BENZYLFORMAMIDEA,B1U3U0.71
GB3(2R,3R,4S,5R)-2-({[(1R)-2-HYDROXY-
1-PHENYLETHYL]AMINO}METHYL)-5-METHYLPYRROLIDINE-
3,4-DIOL
A2F1B0.7
LY18,9-DICHLORO-2,3,4,5-TETRAHYDRO-
1H-BENZO[C]AZEPINE
A,B1N7I0.75