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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03224576

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
FPRPROPYLBENZENEC1RHK0.75
PTF[(METHYLSULFANYL)METHYL]BENZENEC,F1RHQ0.85
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
PXYPARA-XYLENEA187L0.75
PXYPARA-XYLENEA225L0.75
IBZ2-IODOBENZYLTHIO GROUPA,B1CEL0.72
DENINDENEA183L0.72
I4BISOBUTYLBENZENEA184L0.75
OXEORTHO-XYLENEA,B3E0X0.77
OXEORTHO-XYLENEA188L0.77
PYLPHENYLETHANEC1B070.75
PYLPHENYLETHANEA,B2VRM0.75
PYLPHENYLETHANEA1NHB0.75
N4BN-BUTYLBENZENEA186L0.75
PBAPHENYLETHANE BORONIC ACIDC,G6CHA0.7
TLD4-methylbenzene-1,2-dithiolA2Z940.71
AN3ANTHRACENEA,B2HMN0.7
AN3ANTHRACENEA,B2HMM0.7
3BT2-{2-[3-(2-CARBAMIMIDOYLSULFANYL-
ETHYL)-PHENYL]-ETHYL}-ISOTHIOUREA
A,B1D1Y0.75
4BT2-{2-[4-(2-CARBAMIMIDOYLSULFANYL-
ETHYL)-PHENYL]-ETHYL}-ISOTHIOUREA
A,B1D1X0.75
SEHS-BENZYL PHENYLACETOTHIOHYDROXIMATE-
O-SULFATE
M1W9D0.71
HZH1,1,1-trifluoro-3-[(2-phenylethyl)sulfanyl]propan-
2-one
A,B3DEA0.73
C1A1,4-BIS-{[N-(1-IMINO-1GUANIDINO-
METHYL)]SULFANYLMETHYL}-3,6-DIMETHYL-
BENZENE
A2ANQ0.76
PEYPHENANTHRENEA,B2HML0.7
PEYPHENANTHRENEA,B2HMK0.7