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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03422169

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
EBPDIETHYL 4-METHYLBENZYLPHOSPHONATEA,B1DPM0.96
EBPDIETHYL 4-METHYLBENZYLPHOSPHONATEA,B1P6B0.96
EBPDIETHYL 4-METHYLBENZYLPHOSPHONATEA,B1PSC0.96
EBPDIETHYL 4-METHYLBENZYLPHOSPHONATEA,B3E3H0.96
EBPDIETHYL 4-METHYLBENZYLPHOSPHONATEA,B1QW70.96
EBPDIETHYL 4-METHYLBENZYLPHOSPHONATEA,B1P6C0.96
OXEORTHO-XYLENEA,B3E0X0.75
OXEORTHO-XYLENEA188L0.75
CVB4-(CARBOXYVIN-2-YL)PHENYLBORONIC ACIDA,B1KE00.7
PPP3-PHENYL-1,2-PROPANDIOLA,B1HRN0.72
BDBA,B1KE30.73
PXYPARA-XYLENEA187L0.77
PXYPARA-XYLENEA225L0.77
2IB2-IODOBENZYL GROUPI,J,K,L,M,N,
O,P
1GUL0.72
TCAPHENYLETHYLENECARBOXYLIC ACIDA1BE60.71
TCAPHENYLETHYLENECARBOXYLIC ACIDA1BE80.71
TCAPHENYLETHYLENECARBOXYLIC ACIDA,B,C,D,E,F,
G,H
2O780.71
FPRPROPYLBENZENEC1RHK0.77
PBAPHENYLETHANE BORONIC ACIDC,G6CHA0.8
I4BISOBUTYLBENZENEA184L0.75
PMI(2-AMINO-2,3-DIHYDRO-1H-INDEN-2-
YL)PHOSPHONIC ACID
A,B,C,D,E,F,
G,H
2O7E0.72
24I(2S)-2-{[HYDROXY(4-IODOBENZYL)PHOSPHORYL]METHYL}PENTANEDIOIC ACIDA2C6C0.71
PEL2-PHENYL-ETHANOLA,B1I0D0.74
PEL2-PHENYL-ETHANOLD,H2I0T0.74
PEL2-PHENYL-ETHANOLA,B1HZY0.74
PEL2-PHENYL-ETHANOLA,B1I0B0.74
PEL2-PHENYL-ETHANOLA1EYW0.74
PEL2-PHENYL-ETHANOLA,B1JGM0.74
MBNTOLUENEA,B3D7O0.76
MBNTOLUENEA,B1R1X0.76
MBNTOLUENEA,B1JLX0.76
MBNTOLUENEA,B,C,D3D170.76
MBNTOLUENEA,B2VRL0.76
MBNTOLUENEA,I2Z3E0.76
MBNTOLUENEA,B1YZI0.76
MBNTOLUENEA,B2DN10.76
MBNTOLUENEA,B3EN10.76
2HRHEXYLPHOSPHONIC ACID (R)-2-METHYL-
3-PHENYLPROPYL ESTER
X1YS10.88
2HSHEXYLPHOSPHONIC ACID (S)-2-METHYL-
3-PHENYLPROPYL ESTER
X1YS20.88
3PL3-PHENYLPROPANALE1Y3G0.72
4FA4-FLUOROPHENETHYL ALCOHOLA1OWZ0.72
FEP[(4-{4-[4-(DIFLUORO-PHOSPHONO-METHYL)-
PHENYL]-BUTYL}-PHENYL)-DIFLUORO-
METHYL]-PHOSPHONIC ACID
A1KAV0.73
787(PHENYL-PHOSPHONO-METHYL)-PHOSPHONIC ACIDA1O4R0.87
PPH[(1R)-1-amino-2-phenylethyl]phosphonic acidA1OS00.77
PPH[(1R)-1-amino-2-phenylethyl]phosphonic acidE,I4TMN0.77
PPH[(1R)-1-amino-2-phenylethyl]phosphonic acidS1CGH0.77
B69A2ZCR0.7
1PB1,4-DIPHENYL-2-BUTENEA,B1OJ90.7
N4BN-BUTYLBENZENEA186L0.77
GG3{1-HYDROXY-3-[METHYL(4-PHENYLBUTYL)AMINO]PROPANE-
1,1-DIYL}BIS(PHOSPHONIC ACID)
A,B2P1C0.74
GG3{1-HYDROXY-3-[METHYL(4-PHENYLBUTYL)AMINO]PROPANE-
1,1-DIYL}BIS(PHOSPHONIC ACID)
A,B2Z7H0.74
HY1PHENYLACETALDEHYDED,H2I0S0.71
HY1PHENYLACETALDEHYDEA,B1D6Y0.71
HY1PHENYLACETALDEHYDEA,B1D6Z0.71
HY1PHENYLACETALDEHYDED,H2OK40.71
HY1PHENYLACETALDEHYDEA,B1D6U0.71
PYLPHENYLETHANEC1B070.77
PYLPHENYLETHANEA,B2VRM0.77
PYLPHENYLETHANEA1NHB0.77