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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00855463

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
FPRPROPYLBENZENEC1RHK0.75
OXEORTHO-XYLENEA,B3E0X0.73
OXEORTHO-XYLENEA188L0.73
HZH1,1,1-trifluoro-3-[(2-phenylethyl)sulfanyl]propan-
2-one
A,B3DEA0.71
MBNTOLUENEA,B3D7O0.72
MBNTOLUENEA,B1R1X0.72
MBNTOLUENEA,B1JLX0.72
MBNTOLUENEA,B,C,D3D170.72
MBNTOLUENEA,B2VRL0.72
MBNTOLUENEA,I2Z3E0.72
MBNTOLUENEA,B1YZI0.72
MBNTOLUENEA,B2DN10.72
MBNTOLUENEA,B3EN10.72
PBAPHENYLETHANE BORONIC ACIDC,G6CHA0.71
TLD4-methylbenzene-1,2-dithiolA2Z940.78
1PB1,4-DIPHENYL-2-BUTENEA,B1OJ90.71
PXYPARA-XYLENEA187L0.73
PXYPARA-XYLENEA225L0.73
TOSP-SULFINOTOLUENEH1ETT0.71
TOSP-SULFINOTOLUENEI4PAD0.71
TOSP-SULFINOTOLUENEA1EST0.71
TOSP-SULFINOTOLUENEC,G2CHA0.71
TOSP-SULFINOTOLUENEE1PPH0.71
I4BISOBUTYLBENZENEA184L0.73
BZBBENZO[B]THIOPHENE-2-BORONIC ACIDA,B3FKV0.75
BZBBENZO[B]THIOPHENE-2-BORONIC ACIDA,B1C3B0.75
PYLPHENYLETHANEC1B070.75
PYLPHENYLETHANEA,B2VRM0.75
PYLPHENYLETHANEA1NHB0.75
PTF[(METHYLSULFANYL)METHYL]BENZENEC,F1RHQ0.8
N4BN-BUTYLBENZENEA186L0.75
BPSA,B2DE40.72