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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01921959

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
OBZO-benzylhydroxylamineA,B3DTH0.71
OBZO-benzylhydroxylamineA,B3DTG0.71
24B(2,4-DIFLUOROPHENYL)METHANOLA,B1QV60.73
GG3{1-HYDROXY-3-[METHYL(4-PHENYLBUTYL)AMINO]PROPANE-
1,1-DIYL}BIS(PHOSPHONIC ACID)
A,B2P1C0.71
GG3{1-HYDROXY-3-[METHYL(4-PHENYLBUTYL)AMINO]PROPANE-
1,1-DIYL}BIS(PHOSPHONIC ACID)
A,B2Z7H0.71
PBAPHENYLETHANE BORONIC ACIDC,G6CHA0.76
PPP3-PHENYL-1,2-PROPANDIOLA,B1HRN0.73
NDH(1R, 2S)-CIS 1,2 DIHYDROXY-1,2-
DIHYDRONAPHTHALENE
A,B1O7P0.7
PYLPHENYLETHANEC1B070.71
PYLPHENYLETHANEA,B2VRM0.71
PYLPHENYLETHANEA1NHB0.71
787(PHENYL-PHOSPHONO-METHYL)-PHOSPHONIC ACIDA1O4R0.84
FEP[(4-{4-[4-(DIFLUORO-PHOSPHONO-METHYL)-
PHENYL]-BUTYL}-PHENYL)-DIFLUORO-
METHYL]-PHOSPHONIC ACID
A1KAV0.71
N4BN-BUTYLBENZENEA186L0.71
BGGCARBONIC ACID MONOBENZYL ESTERB,D1DLK0.7
PEL2-PHENYL-ETHANOLA,B1I0D0.76
PEL2-PHENYL-ETHANOLD,H2I0T0.76
PEL2-PHENYL-ETHANOLA,B1HZY0.76
PEL2-PHENYL-ETHANOLA,B1I0B0.76
PEL2-PHENYL-ETHANOLA1EYW0.76
PEL2-PHENYL-ETHANOLA,B1JGM0.76
SS11-PHENYLETHANOLH1UM50.75
I59HYDROXY(1-NAPHTHYL)METHYLPHOSPHONIC ACIDA1O4G0.76
DFB2,3-DIFLUOROBENZYL ALCOHOLA,B1QV70.73
DFB2,3-DIFLUOROBENZYL ALCOHOLA,B,C,D1MG00.73
PPH[(1R)-1-amino-2-phenylethyl]phosphonic acidA1OS00.74
PPH[(1R)-1-amino-2-phenylethyl]phosphonic acidE,I4TMN0.74
PPH[(1R)-1-amino-2-phenylethyl]phosphonic acidS1CGH0.74
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
12M(2-ETHYLPHENYL)METHANOLA,B2F620.75
CVB4-(CARBOXYVIN-2-YL)PHENYLBORONIC ACIDA,B1KE00.76
2HRHEXYLPHOSPHONIC ACID (R)-2-METHYL-
3-PHENYLPROPYL ESTER
X1YS10.8
269(1R)-3-chloro-1-phenylpropan-1-
ol
A2RBS0.7
4FA4-FLUOROPHENETHYL ALCOHOLA1OWZ0.73
2HSHEXYLPHOSPHONIC ACID (S)-2-METHYL-
3-PHENYLPROPYL ESTER
X1YS20.8
TCAPHENYLETHYLENECARBOXYLIC ACIDA1BE60.77
TCAPHENYLETHYLENECARBOXYLIC ACIDA1BE80.77
TCAPHENYLETHYLENECARBOXYLIC ACIDA,B,C,D,E,F,
G,H
2O780.77
FPRPROPYLBENZENEC1RHK0.71
IOB3-IODO-BENZYL ALCOHOLA,B1QK00.73
BDBA,B1KE30.71
SS2(1R)-1-PHENYLETHANOLA1ZK00.75
SS2(1R)-1-PHENYLETHANOLA1ZJZ0.75
SS2(1R)-1-PHENYLETHANOLA1ZJY0.75
341(3,5-difluorophenyl)methanolC3EON0.71
EBPDIETHYL 4-METHYLBENZYLPHOSPHONATEA,B1DPM0.87
EBPDIETHYL 4-METHYLBENZYLPHOSPHONATEA,B1P6B0.87
EBPDIETHYL 4-METHYLBENZYLPHOSPHONATEA,B1PSC0.87
EBPDIETHYL 4-METHYLBENZYLPHOSPHONATEA,B3E3H0.87
EBPDIETHYL 4-METHYLBENZYLPHOSPHONATEA,B1QW70.87
EBPDIETHYL 4-METHYLBENZYLPHOSPHONATEA,B1P6C0.87