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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00739657

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
2TN2-(4-(2-HYDROXY-3-(ISOPROPYLAMINO)PROPOXY)PHENYL)ETHANAMIDEA2OTF0.78
2TN2-(4-(2-HYDROXY-3-(ISOPROPYLAMINO)PROPOXY)PHENYL)ETHANAMIDEA2NUV0.78
2TN2-(4-(2-HYDROXY-3-(ISOPROPYLAMINO)PROPOXY)PHENYL)ETHANAMIDEA2OUB0.78
5RM(5R)-5-(4-methoxy-3-propoxyphenyl)-
5-methyl-1,3-oxazolidin-2-one
A,B1XM60.72
3AC(2E)-3-{3-[(5-ETHYL-3-IODO-6-METHYL-
2-OXO-1,2-DIHYDROPYRIDIN-4-YL)OXY]PHENYL}ACRYLONITRILE
A2B5J0.72
AED4-(2-aminoethyl)-2-cyclohexylphenolA3BUH0.71
AEH4-(2-aminoethyl)-2-ethylphenolA3BUG0.73
4BGN-[4-(benzyloxy)phenyl]glycinamideA3CHO0.73
4BR2-(4-METHYLPHENOXY)ETHYLPHOSPHINATEA1PE70.75
4BS4-amino-N-[4-(benzyloxy)phenyl]butanamideA3CHR0.72
11N1-[1'-(3-phenylacryloyl)spiro[1-
benzofuran-3,4'-piperidin]-5-yl]methanamine
A,B,C,D2ZEC0.7
258(2-chloroethoxy)benzeneX2RAY0.7
505(2R)-1-(2,6-dimethylphenoxy)propan-
2-amine
A2VIN0.87
4SR(4S)-4-[3-(CYCLOPENTYLOXY)-4-METHOXYPHENYL]PYRROLIDIN-
2-ONE
A,B1XN00.73
AHT4-(2,5-DIAMINO-5-HYDROXY-PENTYL)-
PHENOL
I,T1TMB0.7
959benzyl (2-oxopropyl)carbamateA3D620.72
AGGTIROFIBANA,B2VDM0.71
2PMN-[2-(BENZHYDRYLOXY)ETHYL]-N,N-
DIMETHYLAMINE
A,B2AOT0.71
AEF4-(2-aminoethyl)phenolA3BRA0.72
2NIN-{2-[(4'-CYANO-1,1'-BIPHENYL-4-
YL)OXY]ETHYL}-N'-HYDROXY-N-METHYLUREA
A1ZP50.71
AEG4-[(2R)-2-aminopropyl]phenolA3BUF0.72
283(3S)-1-{[4-(BUT-2-YN-1-YLOXY)PHENYL]SULFONYL}PYRROLIDINE-
3-THIOL
A2OI00.7