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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00015569

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
1PB1,4-DIPHENYL-2-BUTENEA,B1OJ90.87
PEYPHENANTHRENEA,B2HML0.82
PEYPHENANTHRENEA,B2HMK0.82
AN3ANTHRACENEA,B2HMN0.82
AN3ANTHRACENEA,B2HMM0.82
NPYNAPHTHALENEA,B1O7G0.82
BDBA,B1KE30.82
I4BISOBUTYLBENZENEA184L0.78
OXEORTHO-XYLENEA,B3E0X0.78
OXEORTHO-XYLENEA188L0.78
FPRPROPYLBENZENEC1RHK0.78
PYLPHENYLETHANEC1B070.78
PYLPHENYLETHANEA,B2VRM0.78
PYLPHENYLETHANEA1NHB0.78
N4BN-BUTYLBENZENEA186L0.78
PBAPHENYLETHANE BORONIC ACIDC,G6CHA0.76
TTATETRAPHENYL-ARSONIUMA1HYV0.76
BPSA,B2DE40.76
118TETRAPHENYLANTIMONIUM IONA1EXI0.76
DENINDENEA183L0.75
IBZ2-IODOBENZYLTHIO GROUPA,B1CEL0.75
PTF[(METHYLSULFANYL)METHYL]BENZENEC,F1RHQ0.75
PXYPARA-XYLENEA187L0.75
PXYPARA-XYLENEA225L0.75
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
B70tripotassium (1R)-4-biphenyl-4-
yl-1-phosphonatobutane-1-sulfonate
A2ZCS0.74
TLD4-methylbenzene-1,2-dithiolA2Z940.73
B69A2ZCR0.73
P4PTETRAPHENYLPHOSPHONIUMA,M1EXJ0.73
P4PTETRAPHENYLPHOSPHONIUMA,C3B620.73
P4PTETRAPHENYLPHOSPHONIUMA,B1R8E0.73
P4PTETRAPHENYLPHOSPHONIUMA2BOW0.73
P4PTETRAPHENYLPHOSPHONIUMA3B5D0.73
GW5(2E)-3-{4-[(1E)-1,2-DIPHENYLBUT-
1-ENYL]PHENYL}ACRYLIC ACID
A,B,C1R5K0.72
BP4BIPHENYL-4-YL-ACETALDEHYDEA,B,E,F,G,H1MHW0.71
NAS2-NAPHTHALENESULFONIC ACIDI1QUR0.71
NAS2-NAPHTHALENESULFONIC ACIDE,I1PPC0.71
NAS2-NAPHTHALENESULFONIC ACIDH1ETS0.71
B2Y1-biphenyl-2-ylmethanamineA,B,C,D3CCB0.71
B08A,B2E990.7
2IB2-IODOBENZYL GROUPI,J,K,L,M,N,
O,P
1GUL0.7
PMSBENZYLSULFINIC ACIDB1PNM0.7
PMSBENZYLSULFINIC ACIDA,B1SH70.7
PMSBENZYLSULFINIC ACIDB,C1BB00.7
PMSBENZYLSULFINIC ACIDA,B1S2N0.7
PMSBENZYLSULFINIC ACIDA,B1WB80.7
PMSBENZYLSULFINIC ACIDA,B,C3CE40.7
PMSBENZYLSULFINIC ACIDA,B1Y9Z0.7
PMSBENZYLSULFINIC ACIDA3H180.7
PMSBENZYLSULFINIC ACIDA3H170.7
PMSBENZYLSULFINIC ACIDA2CBG0.7
PMSBENZYLSULFINIC ACIDA1SUP0.7
PMSBENZYLSULFINIC ACIDA,B1V6C0.7
PMSBENZYLSULFINIC ACIDA,B1WPR0.7
PMSBENZYLSULFINIC ACIDA,B1EQ90.7
PMSBENZYLSULFINIC ACIDA,B1AUR0.7
PMSBENZYLSULFINIC ACIDA1KLT0.7
PMSBENZYLSULFINIC ACIDB,C1CA80.7
PMSBENZYLSULFINIC ACIDA2GKO0.7
PMSBENZYLSULFINIC ACIDB,C,D1BA80.7
FEP[(4-{4-[4-(DIFLUORO-PHOSPHONO-METHYL)-
PHENYL]-BUTYL}-PHENYL)-DIFLUORO-
METHYL]-PHOSPHONIC ACID
A1KAV0.7