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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01954114

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
2HRHEXYLPHOSPHONIC ACID (R)-2-METHYL-
3-PHENYLPROPYL ESTER
X1YS10.7
2HSHEXYLPHOSPHONIC ACID (S)-2-METHYL-
3-PHENYLPROPYL ESTER
X1YS20.7
DENINDENEA183L0.73
787(PHENYL-PHOSPHONO-METHYL)-PHOSPHONIC ACIDA1O4R0.78
PMI(2-AMINO-2,3-DIHYDRO-1H-INDEN-2-
YL)PHOSPHONIC ACID
A,B,C,D,E,F,
G,H
2O7E0.88
EBPDIETHYL 4-METHYLBENZYLPHOSPHONATEA,B1DPM0.73
EBPDIETHYL 4-METHYLBENZYLPHOSPHONATEA,B1P6B0.73
EBPDIETHYL 4-METHYLBENZYLPHOSPHONATEA,B1PSC0.73
EBPDIETHYL 4-METHYLBENZYLPHOSPHONATEA,B3E3H0.73
EBPDIETHYL 4-METHYLBENZYLPHOSPHONATEA,B1QW70.73
EBPDIETHYL 4-METHYLBENZYLPHOSPHONATEA,B1P6C0.73
MAJindane-5-sulfonamideA2QOA0.7
PEA2-PHENYLETHYLAMINEA,B,E,F,G,H1MHW0.72
PEA2-PHENYLETHYLAMINEA1TNJ0.72
PEA2-PHENYLETHYLAMINED,H2HKM0.72
PEA2-PHENYLETHYLAMINEA1UTO0.72
PEA2-PHENYLETHYLAMINEA,B1D6Y0.72
PEA2-PHENYLETHYLAMINEA,B1D6Z0.72
PEA2-PHENYLETHYLAMINEA,B1D6U0.72
PEA2-PHENYLETHYLAMINEA1UTM0.72
BDBA,B1KE30.7
2BFALPHA-BENZYL-AMINOBENZYL-PHOSPHONIC ACIDA,B,C,D1ND50.72
PPH[(1R)-1-amino-2-phenylethyl]phosphonic acidA1OS00.84
PPH[(1R)-1-amino-2-phenylethyl]phosphonic acidE,I4TMN0.84
PPH[(1R)-1-amino-2-phenylethyl]phosphonic acidS1CGH0.84
B2FPHENYLALANINE BORONIC ACIDA,P1GBM0.76
B2FPHENYLALANINE BORONIC ACIDA,P1GBD0.76
B2FPHENYLALANINE BORONIC ACIDA,P1P060.76
B2FPHENYLALANINE BORONIC ACIDA,P1GBI0.76
B2FPHENYLALANINE BORONIC ACIDA,P8LPR0.76
4CM(4-CARBAMIMIDOYLPHENYL)-METHYL-
PHOSPHINIC ACID
A1TX70.7
PBAPHENYLETHANE BORONIC ACIDC,G6CHA0.74
OXEORTHO-XYLENEA,B3E0X0.71
OXEORTHO-XYLENEA188L0.71
0071-METHYLAMINE-1-BENZYL-CYCLOPENTANEA,B,C,D2BUA0.73
PRA3-PHENYLPROPYLAMINEA1TNK0.73
PRA3-PHENYLPROPYLAMINEM1UTL0.73
PBN4-PHENYLBUTYLAMINEA1TNI0.73
PBN4-PHENYLBUTYLAMINEA1UTP0.73