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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00025383

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
NAS2-NAPHTHALENESULFONIC ACIDI1QUR0.7
NAS2-NAPHTHALENESULFONIC ACIDE,I1PPC0.7
NAS2-NAPHTHALENESULFONIC ACIDH1ETS0.7
I4BISOBUTYLBENZENEA184L0.77
NPYNAPHTHALENEA,B1O7G0.73
HZH1,1,1-trifluoro-3-[(2-phenylethyl)sulfanyl]propan-
2-one
A,B3DEA0.71
FPRPROPYLBENZENEC1RHK0.74
BDBA,B1KE30.75
PXYPARA-XYLENEA187L0.72
PXYPARA-XYLENEA225L0.72
OXEORTHO-XYLENEA,B3E0X0.74
OXEORTHO-XYLENEA188L0.74
TLD4-methylbenzene-1,2-dithiolA2Z940.74
BZBBENZO[B]THIOPHENE-2-BORONIC ACIDA,B3FKV0.74
BZBBENZO[B]THIOPHENE-2-BORONIC ACIDA,B1C3B0.74
BPSA,B2DE40.79
BBS4-TERT-BUTYLBENZENESULFONIC ACIDB1EOJ0.72
BBS4-TERT-BUTYLBENZENESULFONIC ACIDB1EOL0.72
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
N4BN-BUTYLBENZENEA186L0.74
PYLPHENYLETHANEC1B070.74
PYLPHENYLETHANEA,B2VRM0.74
PYLPHENYLETHANEA1NHB0.74
PTF[(METHYLSULFANYL)METHYL]BENZENEC,F1RHQ0.79
1PB1,4-DIPHENYL-2-BUTENEA,B1OJ90.77