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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03360200

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
FPRPROPYLBENZENEC1RHK0.73
3PL3-PHENYLPROPANALE1Y3G0.71
PPP3-PHENYL-1,2-PROPANDIOLA,B1HRN0.78
341(3,5-difluorophenyl)methanolC3EON0.73
RSOR-STYRENE OXIDEA,B1PWZ0.73
NDH(1R, 2S)-CIS 1,2 DIHYDROXY-1,2-
DIHYDRONAPHTHALENE
A,B1O7P0.74
24B(2,4-DIFLUOROPHENYL)METHANOLA,B1QV60.74
PBAPHENYLETHANE BORONIC ACIDC,G6CHA0.76
SS2(1R)-1-PHENYLETHANOLA1ZK00.81
SS2(1R)-1-PHENYLETHANOLA1ZJZ0.81
SS2(1R)-1-PHENYLETHANOLA1ZJY0.81
269(1R)-3-chloro-1-phenylpropan-1-
ol
A2RBS0.76
PXYPARA-XYLENEA187L0.73
PXYPARA-XYLENEA225L0.73
MBNTOLUENEA,B3D7O0.73
MBNTOLUENEA,B1R1X0.73
MBNTOLUENEA,B1JLX0.73
MBNTOLUENEA,B,C,D3D170.73
MBNTOLUENEA,B2VRL0.73
MBNTOLUENEA,I2Z3E0.73
MBNTOLUENEA,B1YZI0.73
MBNTOLUENEA,B2DN10.73
MBNTOLUENEA,B3EN10.73
HY1PHENYLACETALDEHYDED,H2I0S0.7
HY1PHENYLACETALDEHYDEA,B1D6Y0.7
HY1PHENYLACETALDEHYDEA,B1D6Z0.7
HY1PHENYLACETALDEHYDED,H2OK40.7
HY1PHENYLACETALDEHYDEA,B1D6U0.7
BDBA,B1KE30.7
EBPDIETHYL 4-METHYLBENZYLPHOSPHONATEA,B1DPM0.7
EBPDIETHYL 4-METHYLBENZYLPHOSPHONATEA,B1P6B0.7
EBPDIETHYL 4-METHYLBENZYLPHOSPHONATEA,B1PSC0.7
EBPDIETHYL 4-METHYLBENZYLPHOSPHONATEA,B3E3H0.7
EBPDIETHYL 4-METHYLBENZYLPHOSPHONATEA,B1QW70.7
EBPDIETHYL 4-METHYLBENZYLPHOSPHONATEA,B1P6C0.7
BGGCARBONIC ACID MONOBENZYL ESTERB,D1DLK0.7
RS7(2E)-3-(2-OCT-1-YN-1-YLPHENYL)ACRYLIC ACIDA,B2P0M0.75
RS7(2E)-3-(2-OCT-1-YN-1-YLPHENYL)ACRYLIC ACIDA1LOX0.75
PYLPHENYLETHANEC1B070.73
PYLPHENYLETHANEA,B2VRM0.73
PYLPHENYLETHANEA1NHB0.73
I4BISOBUTYLBENZENEA184L0.71
DFB2,3-DIFLUOROBENZYL ALCOHOLA,B1QV70.74
DFB2,3-DIFLUOROBENZYL ALCOHOLA,B,C,D1MG00.74
CVB4-(CARBOXYVIN-2-YL)PHENYLBORONIC ACIDA,B1KE00.76
SS11-PHENYLETHANOLH1UM50.81
MXN(2R)-hydroxy(phenyl)ethanenitrileA,B3GDN0.75
N4BN-BUTYLBENZENEA186L0.73
4FA4-FLUOROPHENETHYL ALCOHOLA1OWZ0.75
OBZO-benzylhydroxylamineA,B3DTH0.73
OBZO-benzylhydroxylamineA,B3DTG0.73
OXEORTHO-XYLENEA,B3E0X0.71
OXEORTHO-XYLENEA188L0.71
12M(2-ETHYLPHENYL)METHANOLA,B2F620.77
TCAPHENYLETHYLENECARBOXYLIC ACIDA1BE60.77
TCAPHENYLETHYLENECARBOXYLIC ACIDA1BE80.77
TCAPHENYLETHYLENECARBOXYLIC ACIDA,B,C,D,E,F,
G,H
2O780.77
MNN(S)-MANDELIC ACID NITRILEA1YB60.75
PEL2-PHENYL-ETHANOLA,B1I0D0.78
PEL2-PHENYL-ETHANOLD,H2I0T0.78
PEL2-PHENYL-ETHANOLA,B1HZY0.78
PEL2-PHENYL-ETHANOLA,B1I0B0.78
PEL2-PHENYL-ETHANOLA1EYW0.78
PEL2-PHENYL-ETHANOLA,B1JGM0.78
IOB3-IODO-BENZYL ALCOHOLA,B1QK00.75