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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01728080

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
4BR2-(4-METHYLPHENOXY)ETHYLPHOSPHINATEA1PE70.78
AEH4-(2-aminoethyl)-2-ethylphenolA3BUG0.75
4BGN-[4-(benzyloxy)phenyl]glycinamideA3CHO0.72
3MB3-METHOXYBENZAMIDEA3PAX0.76
258(2-chloroethoxy)benzeneX2RAY0.72
11N1-[1'-(3-phenylacryloyl)spiro[1-
benzofuran-3,4'-piperidin]-5-yl]methanamine
A,B,C,D2ZEC0.72
AEF4-(2-aminoethyl)phenolA3BRA0.76
505(2R)-1-(2,6-dimethylphenoxy)propan-
2-amine
A2VIN0.84
4BS4-amino-N-[4-(benzyloxy)phenyl]butanamideA3CHR0.72
2TN2-(4-(2-HYDROXY-3-(ISOPROPYLAMINO)PROPOXY)PHENYL)ETHANAMIDEA2OTF0.74
2TN2-(4-(2-HYDROXY-3-(ISOPROPYLAMINO)PROPOXY)PHENYL)ETHANAMIDEA2NUV0.74
2TN2-(4-(2-HYDROXY-3-(ISOPROPYLAMINO)PROPOXY)PHENYL)ETHANAMIDEA2OUB0.74
AEG4-[(2R)-2-aminopropyl]phenolA3BUF0.75
2682-phenoxyethanolA2RBR0.71
AED4-(2-aminoethyl)-2-cyclohexylphenolA3BUH0.72
AL9N-[(4-METHOXYPHENYL)METHYL]2,5-
THIOPHENEDESULFONAMIDE
A1BN40.74
5RM(5R)-5-(4-methoxy-3-propoxyphenyl)-
5-methyl-1,3-oxazolidin-2-one
A,B1XM60.71
4SR(4S)-4-[3-(CYCLOPENTYLOXY)-4-METHOXYPHENYL]PYRROLIDIN-
2-ONE
A,B1XN00.7
296(3R)-3-amino-2,2-difluoro-3-(4-
methoxyphenyl)propanoic acid
A,B2RJS0.77
4MP1-(4-METHOXYBENZOYL)-2-PYRROLIDINONEA,B2AL50.7
4HL4-(HYDRAZINOMETHYL)PHENOLA,B2E2U0.76
AHT4-(2,5-DIAMINO-5-HYDROXY-PENTYL)-
PHENOL
I,T1TMB0.73