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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00260485

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
4BA4-[(2-CARBOXY-ETHYLAMINO)-METHYL]-
BENZOIC ACID
C1FAV0.74
341(3,5-difluorophenyl)methanolC3EON0.75
AEF4-(2-aminoethyl)phenolA3BRA0.79
B3Y(3S)-3-AMINO-4-(4-HYDROXYPHENYL)BUTANOIC ACIDA3HF00.7
B3Y(3S)-3-AMINO-4-(4-HYDROXYPHENYL)BUTANOIC ACIDA2OXK0.7
B3Y(3S)-3-AMINO-4-(4-HYDROXYPHENYL)BUTANOIC ACIDA,B,C2OXJ0.7
AEH4-(2-aminoethyl)-2-ethylphenolA3BUG0.77
2NAnaphthalen-2-ylmethanolA,B,C3EE50.74
ALEL-EPINEPHRINEA3PAH0.7
ALEL-EPINEPHRINEA2HKK0.7
1PAPHENYLMETHYLACETIC ACID ALANINEI1BHF0.7
4BZ4-(HYDROXYMETHYL)BENZAMIDINEA1S6H0.87
269(1R)-3-chloro-1-phenylpropan-1-
ol
A2RBS0.73
AHT4-(2,5-DIAMINO-5-HYDROXY-PENTYL)-
PHENOL
I,T1TMB0.77
ABNBENZYLAMINED,H2HXC0.74
ABNBENZYLAMINEA,I1A860.74
ABNBENZYLAMINEA1UTN0.74
ABNBENZYLAMINEA1N6X0.74
ABNBENZYLAMINEA2BZA0.74
ABNBENZYLAMINEA2EUS0.74
ABNBENZYLAMINEA1N6Y0.74
ABNBENZYLAMINEA1UTJ0.74
B2FPHENYLALANINE BORONIC ACIDA,P1GBM0.71
B2FPHENYLALANINE BORONIC ACIDA,P1GBD0.71
B2FPHENYLALANINE BORONIC ACIDA,P1P060.71
B2FPHENYLALANINE BORONIC ACIDA,P1GBI0.71
B2FPHENYLALANINE BORONIC ACIDA,P8LPR0.71
AEG4-[(2R)-2-aminopropyl]phenolA3BUF0.78
24B(2,4-DIFLUOROPHENYL)METHANOLA,B1QV60.76
4FA4-FLUOROPHENETHYL ALCOHOLA1OWZ0.73
AED4-(2-aminoethyl)-2-cyclohexylphenolA3BUH0.74
12M(2-ETHYLPHENYL)METHANOLA,B2F620.78
271N-methyl-1-phenylmethanamineX2RBT0.7
4HL4-(HYDRAZINOMETHYL)PHENOLA,B2E2U0.76