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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03523449

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
PTF[(METHYLSULFANYL)METHYL]BENZENEC,F1RHQ0.74
NTSNAPHTHALENE TRISULFONATEA1RML0.72
FPRPROPYLBENZENEC1RHK0.74
BDBA,B1KE30.73
TLD4-methylbenzene-1,2-dithiolA2Z940.84
NAS2-NAPHTHALENESULFONIC ACIDI1QUR0.72
NAS2-NAPHTHALENESULFONIC ACIDE,I1PPC0.72
NAS2-NAPHTHALENESULFONIC ACIDH1ETS0.72
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
I4BISOBUTYLBENZENEA184L0.74
BBS4-TERT-BUTYLBENZENESULFONIC ACIDB1EOJ0.72
BBS4-TERT-BUTYLBENZENESULFONIC ACIDB1EOL0.72
1PB1,4-DIPHENYL-2-BUTENEA,B1OJ90.79
OXEORTHO-XYLENEA,B3E0X0.72
OXEORTHO-XYLENEA188L0.72
PXYPARA-XYLENEA187L0.74
PXYPARA-XYLENEA225L0.74
BIHNAPHTHALENE-2,6-DISULFONIC ACIDA1U4S0.72
N4BN-BUTYLBENZENEA186L0.74
TOSP-SULFINOTOLUENEH1ETT0.74
TOSP-SULFINOTOLUENEI4PAD0.74
TOSP-SULFINOTOLUENEA1EST0.74
TOSP-SULFINOTOLUENEC,G2CHA0.74
TOSP-SULFINOTOLUENEE1PPH0.74
PYLPHENYLETHANEC1B070.74
PYLPHENYLETHANEA,B2VRM0.74
PYLPHENYLETHANEA1NHB0.74
BPSA,B2DE40.77
NPYNAPHTHALENEA,B1O7G0.71
TSUPARA-TOLUENE SULFONATEA,B1WUW0.73
TSUPARA-TOLUENE SULFONATEA1B0D0.73