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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00024046

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
2671-(azidomethyl)-3-methylbenzeneA2RBQ0.71
ABNBENZYLAMINED,H2HXC0.8
ABNBENZYLAMINEA,I1A860.8
ABNBENZYLAMINEA1UTN0.8
ABNBENZYLAMINEA1N6X0.8
ABNBENZYLAMINEA2BZA0.8
ABNBENZYLAMINEA2EUS0.8
ABNBENZYLAMINEA1N6Y0.8
ABNBENZYLAMINEA1UTJ0.8
BZZBENZYLHYDRAZINEA,B2E2V0.73
C2B1-(4-CHLOROPHENYL)METHANAMINED,H2Q7Q0.9
PEA2-PHENYLETHYLAMINEA,B,E,F,G,H1MHW0.73
PEA2-PHENYLETHYLAMINEA1TNJ0.73
PEA2-PHENYLETHYLAMINED,H2HKM0.73
PEA2-PHENYLETHYLAMINEA1UTO0.73
PEA2-PHENYLETHYLAMINEA,B1D6Y0.73
PEA2-PHENYLETHYLAMINEA,B1D6Z0.73
PEA2-PHENYLETHYLAMINEA,B1D6U0.73
PEA2-PHENYLETHYLAMINEA1UTM0.73
2CM2-CHLORO-6-METHYL-ANILINEA1OVH0.78
PO01-BENZYL-(R)-PROPYLAMINEA,I1LZQ0.71
PO01-BENZYL-(R)-PROPYLAMINEB,I1M0B0.71
SKA7,8-DICHLORO-1,2,3,4-TETRAHYDROISOQUINOLINEA,B1YZ30.72
B2Y1-biphenyl-2-ylmethanamineA,B,C,D3CCB0.72
FBA4-FLUOROBENZYLAMINEB,D,E1AFQ0.84
FBA4-FLUOROBENZYLAMINEA1TNH0.84
GVQ(2R)-2-(4-CHLOROPHENYL)-2-PHENYLETHANAMINEA2UW80.78
TRJMETA-DI(AMINOMETHYL)BENZENEA,I1GVV0.76
TRJMETA-DI(AMINOMETHYL)BENZENEA1FQ50.76
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
PRA3-PHENYLPROPYLAMINEA1TNK0.72
PRA3-PHENYLPROPYLAMINEM1UTL0.72
FRD1-PHENYL-2-AMINOPROPANEA,C2AOI0.71
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOF0.71
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOJ0.71
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOH0.71
PBN4-PHENYLBUTYLAMINEA1TNI0.72
PBN4-PHENYLBUTYLAMINEA1UTP0.72
271N-methyl-1-phenylmethanamineX2RBT0.73
LY18,9-DICHLORO-2,3,4,5-TETRAHYDRO-
1H-BENZO[C]AZEPINE
A,B1N7I0.74
2631-(azidomethyl)-3-methylbenzeneX2RB20.71
C2A1-(3-CHLOROPHENYL)METHANAMINEB,I2C8Z0.92