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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01829203

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
X1YS10.78
2HSHEXYLPHOSPHONIC ACID (S)-2-METHYL-
3-PHENYLPROPYL ESTER
X1YS20.78
2BFALPHA-BENZYL-AMINOBENZYL-PHOSPHONIC ACIDA,B,C,D1ND50.73
B69A2ZCR0.8
PBAPHENYLETHANE BORONIC ACIDC,G6CHA0.79
I4BISOBUTYLBENZENEA184L0.72
NPYNAPHTHALENEA,B1O7G0.73
FPRPROPYLBENZENEC1RHK0.74
B08A,B2E990.78
FNP{[7-(DIFLUORO-PHOSPHONO-METHYL)-
NAPHTHALEN-2-YL]-DIFLUORO-METHYL}-
PHOSPHONIC ACID
A1KAK0.79
1PB1,4-DIPHENYL-2-BUTENEA,B1OJ90.82
PMI(2-AMINO-2,3-DIHYDRO-1H-INDEN-2-
YL)PHOSPHONIC ACID
A,B,C,D,E,F,
G,H
2O7E0.71
B28A,B2E9A0.78
FEP[(4-{4-[4-(DIFLUORO-PHOSPHONO-METHYL)-
PHENYL]-BUTYL}-PHENYL)-DIFLUORO-
METHYL]-PHOSPHONIC ACID
A1KAV0.88
OXEORTHO-XYLENEA,B3E0X0.72
OXEORTHO-XYLENEA188L0.72
787(PHENYL-PHOSPHONO-METHYL)-PHOSPHONIC ACIDA1O4R0.89
PPH[(1R)-1-amino-2-phenylethyl]phosphonic acidA1OS00.76
PPH[(1R)-1-amino-2-phenylethyl]phosphonic acidE,I4TMN0.76
PPH[(1R)-1-amino-2-phenylethyl]phosphonic acidS1CGH0.76
24I(2S)-2-{[HYDROXY(4-IODOBENZYL)PHOSPHORYL]METHYL}PENTANEDIOIC ACIDA2C6C0.71
MBNTOLUENEA,B3D7O0.71
MBNTOLUENEA,B1R1X0.71
MBNTOLUENEA,B1JLX0.71
MBNTOLUENEA,B,C,D3D170.71
MBNTOLUENEA,B2VRL0.71
MBNTOLUENEA,I2Z3E0.71
MBNTOLUENEA,B1YZI0.71
MBNTOLUENEA,B2DN10.71
MBNTOLUENEA,B3EN10.71
PXYPARA-XYLENEA187L0.71
PXYPARA-XYLENEA225L0.71
N4BN-BUTYLBENZENEA186L0.74
BDBA,B1KE30.82
PYLPHENYLETHANEC1B070.74
PYLPHENYLETHANEA,B2VRM0.74
PYLPHENYLETHANEA1NHB0.74
EBPDIETHYL 4-METHYLBENZYLPHOSPHONATEA,B1DPM0.79
EBPDIETHYL 4-METHYLBENZYLPHOSPHONATEA,B1P6B0.79
EBPDIETHYL 4-METHYLBENZYLPHOSPHONATEA,B1PSC0.79
EBPDIETHYL 4-METHYLBENZYLPHOSPHONATEA,B3E3H0.79
EBPDIETHYL 4-METHYLBENZYLPHOSPHONATEA,B1QW70.79
EBPDIETHYL 4-METHYLBENZYLPHOSPHONATEA,B1P6C0.79
B70tripotassium (1R)-4-biphenyl-4-
yl-1-phosphonatobutane-1-sulfonate
A2ZCS0.81
GG3{1-HYDROXY-3-[METHYL(4-PHENYLBUTYL)AMINO]PROPANE-
1,1-DIYL}BIS(PHOSPHONIC ACID)
A,B2P1C0.73
GG3{1-HYDROXY-3-[METHYL(4-PHENYLBUTYL)AMINO]PROPANE-
1,1-DIYL}BIS(PHOSPHONIC ACID)
A,B2Z7H0.73