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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00022137

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
2631-(azidomethyl)-3-methylbenzeneX2RB20.75
V36L-1-(4-CHLOROPHENYL)-2-(ACETAMIDO)ETHANE BORONIC ACIDB,C1VGC0.71
4MDN-(4-chlorobenzyl)-N-methylbenzene-
1,4-disulfonamide
A,B3DA20.72
2CM2-CHLORO-6-METHYL-ANILINEA1OVH0.74
FBA4-FLUOROBENZYLAMINEB,D,E1AFQ0.73
FBA4-FLUOROBENZYLAMINEA1TNH0.73
B2Y1-biphenyl-2-ylmethanamineA,B,C,D3CCB0.7
BTMN-benzyl-N,N-diethylethanaminiumA,B2Q9Y0.74
SKA7,8-DICHLORO-1,2,3,4-TETRAHYDROISOQUINOLINEA,B1YZ30.72
C2B1-(4-CHLOROPHENYL)METHANAMINED,H2Q7Q0.88
TRJMETA-DI(AMINOMETHYL)BENZENEA,I1GVV0.74
TRJMETA-DI(AMINOMETHYL)BENZENEA1FQ50.74
GVQ(2R)-2-(4-CHLOROPHENYL)-2-PHENYLETHANAMINEA2UW80.78
ABNBENZYLAMINED,H2HXC0.75
ABNBENZYLAMINEA,I1A860.75
ABNBENZYLAMINEA1UTN0.75
ABNBENZYLAMINEA1N6X0.75
ABNBENZYLAMINEA2BZA0.75
ABNBENZYLAMINEA2EUS0.75
ABNBENZYLAMINEA1N6Y0.75
ABNBENZYLAMINEA1UTJ0.75
V35D-1-(4-CHLOROPHENYL)-2-(ACETAMIDO)ETHANE BORONIC ACIDB,C2VGC0.71
271N-methyl-1-phenylmethanamineX2RBT0.73
LY18,9-DICHLORO-2,3,4,5-TETRAHYDRO-
1H-BENZO[C]AZEPINE
A,B1N7I0.74
2671-(azidomethyl)-3-methylbenzeneA2RBQ0.75
C2A1-(3-CHLOROPHENYL)METHANAMINEB,I2C8Z0.85
DPKDEPRENYLA,B2BYB0.7
PEA2-PHENYLETHYLAMINEA,B,E,F,G,H1MHW0.71
PEA2-PHENYLETHYLAMINEA1TNJ0.71
PEA2-PHENYLETHYLAMINED,H2HKM0.71
PEA2-PHENYLETHYLAMINEA1UTO0.71
PEA2-PHENYLETHYLAMINEA,B1D6Y0.71
PEA2-PHENYLETHYLAMINEA,B1D6Z0.71
PEA2-PHENYLETHYLAMINEA,B1D6U0.71
PEA2-PHENYLETHYLAMINEA1UTM0.71