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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01865182

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
OXEORTHO-XYLENEA,B3E0X0.75
OXEORTHO-XYLENEA188L0.75
B28A,B2E9A0.73
BDBA,B1KE30.74
PPP3-PHENYL-1,2-PROPANDIOLA,B1HRN0.72
RS7(2E)-3-(2-OCT-1-YN-1-YLPHENYL)ACRYLIC ACIDA,B2P0M0.7
RS7(2E)-3-(2-OCT-1-YN-1-YLPHENYL)ACRYLIC ACIDA1LOX0.7
PXYPARA-XYLENEA187L0.75
PXYPARA-XYLENEA225L0.75
24I(2S)-2-{[HYDROXY(4-IODOBENZYL)PHOSPHORYL]METHYL}PENTANEDIOIC ACIDA2C6C0.75
B70tripotassium (1R)-4-biphenyl-4-
yl-1-phosphonatobutane-1-sulfonate
A2ZCS0.72
FEP[(4-{4-[4-(DIFLUORO-PHOSPHONO-METHYL)-
PHENYL]-BUTYL}-PHENYL)-DIFLUORO-
METHYL]-PHOSPHONIC ACID
A1KAV0.76
FPRPROPYLBENZENEC1RHK0.77
PBAPHENYLETHANE BORONIC ACIDC,G6CHA0.8
I4BISOBUTYLBENZENEA184L0.75
MBNTOLUENEA,B3D7O0.74
MBNTOLUENEA,B1R1X0.74
MBNTOLUENEA,B1JLX0.74
MBNTOLUENEA,B,C,D3D170.74
MBNTOLUENEA,B2VRL0.74
MBNTOLUENEA,I2Z3E0.74
MBNTOLUENEA,B1YZI0.74
MBNTOLUENEA,B2DN10.74
MBNTOLUENEA,B3EN10.74
2HSHEXYLPHOSPHONIC ACID (S)-2-METHYL-
3-PHENYLPROPYL ESTER
X1YS20.84
787(PHENYL-PHOSPHONO-METHYL)-PHOSPHONIC ACIDA1O4R0.85
B08A,B2E990.73
2HRHEXYLPHOSPHONIC ACID (R)-2-METHYL-
3-PHENYLPROPYL ESTER
X1YS10.84
PMI(2-AMINO-2,3-DIHYDRO-1H-INDEN-2-
YL)PHOSPHONIC ACID
A,B,C,D,E,F,
G,H
2O7E0.72
B69A2ZCR0.73
1PB1,4-DIPHENYL-2-BUTENEA,B1OJ90.73
GG3{1-HYDROXY-3-[METHYL(4-PHENYLBUTYL)AMINO]PROPANE-
1,1-DIYL}BIS(PHOSPHONIC ACID)
A,B2P1C0.78
GG3{1-HYDROXY-3-[METHYL(4-PHENYLBUTYL)AMINO]PROPANE-
1,1-DIYL}BIS(PHOSPHONIC ACID)
A,B2Z7H0.78
PEL2-PHENYL-ETHANOLA,B1I0D0.73
PEL2-PHENYL-ETHANOLD,H2I0T0.73
PEL2-PHENYL-ETHANOLA,B1HZY0.73
PEL2-PHENYL-ETHANOLA,B1I0B0.73
PEL2-PHENYL-ETHANOLA1EYW0.73
PEL2-PHENYL-ETHANOLA,B1JGM0.73
CVB4-(CARBOXYVIN-2-YL)PHENYLBORONIC ACIDA,B1KE00.71
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
ARL7-(3,5-DITERT-BUTYLPHENYL)-3-METHYLOCTA-
2,4,6-TRIENOIC ACID
A1NQ70.7
N4BN-BUTYLBENZENEA186L0.77
TCAPHENYLETHYLENECARBOXYLIC ACIDA1BE60.72
TCAPHENYLETHYLENECARBOXYLIC ACIDA1BE80.72
TCAPHENYLETHYLENECARBOXYLIC ACIDA,B,C,D,E,F,
G,H
2O780.72
PYLPHENYLETHANEC1B070.77
PYLPHENYLETHANEA,B2VRM0.77
PYLPHENYLETHANEA1NHB0.77
EBPDIETHYL 4-METHYLBENZYLPHOSPHONATEA,B1DPM0.88
EBPDIETHYL 4-METHYLBENZYLPHOSPHONATEA,B1P6B0.88
EBPDIETHYL 4-METHYLBENZYLPHOSPHONATEA,B1PSC0.88
EBPDIETHYL 4-METHYLBENZYLPHOSPHONATEA,B3E3H0.88
EBPDIETHYL 4-METHYLBENZYLPHOSPHONATEA,B1QW70.88
EBPDIETHYL 4-METHYLBENZYLPHOSPHONATEA,B1P6C0.88