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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00012814

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
24I(2S)-2-{[HYDROXY(4-IODOBENZYL)PHOSPHORYL]METHYL}PENTANEDIOIC ACIDA2C6C0.7
PXYPARA-XYLENEA187L0.78
PXYPARA-XYLENEA225L0.78
3PL3-PHENYLPROPANALE1Y3G0.71
OXEORTHO-XYLENEA,B3E0X0.74
OXEORTHO-XYLENEA188L0.74
PBAPHENYLETHANE BORONIC ACIDC,G6CHA0.76
MBNTOLUENEA,B3D7O0.75
MBNTOLUENEA,B1R1X0.75
MBNTOLUENEA,B1JLX0.75
MBNTOLUENEA,B,C,D3D170.75
MBNTOLUENEA,B2VRL0.75
MBNTOLUENEA,I2Z3E0.75
MBNTOLUENEA,B1YZI0.75
MBNTOLUENEA,B2DN10.75
MBNTOLUENEA,B3EN10.75
EBPDIETHYL 4-METHYLBENZYLPHOSPHONATEA,B1DPM1
EBPDIETHYL 4-METHYLBENZYLPHOSPHONATEA,B1P6B1
EBPDIETHYL 4-METHYLBENZYLPHOSPHONATEA,B1PSC1
EBPDIETHYL 4-METHYLBENZYLPHOSPHONATEA,B3E3H1
EBPDIETHYL 4-METHYLBENZYLPHOSPHONATEA,B1QW71
EBPDIETHYL 4-METHYLBENZYLPHOSPHONATEA,B1P6C1
B70tripotassium (1R)-4-biphenyl-4-
yl-1-phosphonatobutane-1-sulfonate
A2ZCS0.72
PYLPHENYLETHANEC1B070.76
PYLPHENYLETHANEA,B2VRM0.76
PYLPHENYLETHANEA1NHB0.76
I4BISOBUTYLBENZENEA184L0.74
HY1PHENYLACETALDEHYDED,H2I0S0.7
HY1PHENYLACETALDEHYDEA,B1D6Y0.7
HY1PHENYLACETALDEHYDEA,B1D6Z0.7
HY1PHENYLACETALDEHYDED,H2OK40.7
HY1PHENYLACETALDEHYDEA,B1D6U0.7
BDBA,B1KE30.7
N4BN-BUTYLBENZENEA186L0.76
PEL2-PHENYL-ETHANOLA,B1I0D0.71
PEL2-PHENYL-ETHANOLD,H2I0T0.71
PEL2-PHENYL-ETHANOLA,B1HZY0.71
PEL2-PHENYL-ETHANOLA,B1I0B0.71
PEL2-PHENYL-ETHANOLA1EYW0.71
PEL2-PHENYL-ETHANOLA,B1JGM0.71
2HSHEXYLPHOSPHONIC ACID (S)-2-METHYL-
3-PHENYLPROPYL ESTER
X1YS20.87
2HRHEXYLPHOSPHONIC ACID (R)-2-METHYL-
3-PHENYLPROPYL ESTER
X1YS10.87
PPH[(1R)-1-amino-2-phenylethyl]phosphonic acidA1OS00.73
PPH[(1R)-1-amino-2-phenylethyl]phosphonic acidE,I4TMN0.73
PPH[(1R)-1-amino-2-phenylethyl]phosphonic acidS1CGH0.73
FEP[(4-{4-[4-(DIFLUORO-PHOSPHONO-METHYL)-
PHENYL]-BUTYL}-PHENYL)-DIFLUORO-
METHYL]-PHOSPHONIC ACID
A1KAV0.75
B69A2ZCR0.74
787(PHENYL-PHOSPHONO-METHYL)-PHOSPHONIC ACIDA1O4R0.83
FPRPROPYLBENZENEC1RHK0.76
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
1PB1,4-DIPHENYL-2-BUTENEA,B1OJ90.72
2IB2-IODOBENZYL GROUPI,J,K,L,M,N,
O,P
1GUL0.71