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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00286331

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
OXEORTHO-XYLENEA,B3E0X0.75
OXEORTHO-XYLENEA188L0.75
3BT2-{2-[3-(2-CARBAMIMIDOYLSULFANYL-
ETHYL)-PHENYL]-ETHYL}-ISOTHIOUREA
A,B1D1Y0.71
4BT2-{2-[4-(2-CARBAMIMIDOYLSULFANYL-
ETHYL)-PHENYL]-ETHYL}-ISOTHIOUREA
A,B1D1X0.71
1PB1,4-DIPHENYL-2-BUTENEA,B1OJ90.83
BZBBENZO[B]THIOPHENE-2-BORONIC ACIDA,B3FKV0.7
BZBBENZO[B]THIOPHENE-2-BORONIC ACIDA,B1C3B0.7
IBZ2-IODOBENZYLTHIO GROUPA,B1CEL0.72
DENINDENEA183L0.72
FPRPROPYLBENZENEC1RHK0.77
I4BISOBUTYLBENZENEA184L0.75
BPSA,B2DE40.71
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
TLD4-methylbenzene-1,2-dithiolA2Z940.72
PXYPARA-XYLENEA187L0.74
PXYPARA-XYLENEA225L0.74
PTF[(METHYLSULFANYL)METHYL]BENZENEC,F1RHQ0.82
PEYPHENANTHRENEA,B2HML0.72
PEYPHENANTHRENEA,B2HMK0.72
N4BN-BUTYLBENZENEA186L0.77
PYLPHENYLETHANEC1B070.77
PYLPHENYLETHANEA,B2VRM0.77
PYLPHENYLETHANEA1NHB0.77
BDBA,B1KE30.76
SEHS-BENZYL PHENYLACETOTHIOHYDROXIMATE-
O-SULFATE
M1W9D0.71
HZH1,1,1-trifluoro-3-[(2-phenylethyl)sulfanyl]propan-
2-one
A,B3DEA0.75
NPYNAPHTHALENEA,B1O7G0.76
PBAPHENYLETHANE BORONIC ACIDC,G6CHA0.75
AN3ANTHRACENEA,B2HMN0.72
AN3ANTHRACENEA,B2HMM0.72