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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02544047

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
HZH1,1,1-trifluoro-3-[(2-phenylethyl)sulfanyl]propan-
2-one
A,B3DEA0.79
PTF[(METHYLSULFANYL)METHYL]BENZENEC,F1RHQ0.84
IBZ2-IODOBENZYLTHIO GROUPA,B1CEL0.74
I4BISOBUTYLBENZENEA184L0.72
BT6benzenethiolA,B,C,D3HSR0.71
FPRPROPYLBENZENEC1RHK0.74
TSUPARA-TOLUENE SULFONATEA,B1WUW0.71
TSUPARA-TOLUENE SULFONATEA1B0D0.71
BZBBENZO[B]THIOPHENE-2-BORONIC ACIDA,B3FKV0.7
BZBBENZO[B]THIOPHENE-2-BORONIC ACIDA,B1C3B0.7
2IB2-IODOBENZYL GROUPI,J,K,L,M,N,
O,P
1GUL0.72
SMLPHENYL METHYL SULFONEA,I1D6W0.73
SMLPHENYL METHYL SULFONEA,I1D9I0.73
PVS(ethenylsulfonyl)benzeneA3BLU0.72
2602-(bromomethyl)-1,3-difluorobenzeneX2RB00.71
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
OXEORTHO-XYLENEA,B3E0X0.72
OXEORTHO-XYLENEA188L0.72
PXYPARA-XYLENEA187L0.74
PXYPARA-XYLENEA225L0.74
N4BN-BUTYLBENZENEA186L0.74
PYLPHENYLETHANEC1B070.74
PYLPHENYLETHANEA,B2VRM0.74
PYLPHENYLETHANEA1NHB0.74
8171-{[N-(1-IMINO-GUANIDINO-METHYL)]SULFANYLMETHYL}-
3-TRIFLUOROMETHYL-BENZENE
A2ANO0.7
TOSP-SULFINOTOLUENEH1ETT0.72
TOSP-SULFINOTOLUENEI4PAD0.72
TOSP-SULFINOTOLUENEA1EST0.72
TOSP-SULFINOTOLUENEC,G2CHA0.72
TOSP-SULFINOTOLUENEE1PPH0.72
TLD4-methylbenzene-1,2-dithiolA2Z940.79