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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02214849

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
3BT2-{2-[3-(2-CARBAMIMIDOYLSULFANYL-
ETHYL)-PHENYL]-ETHYL}-ISOTHIOUREA
A,B1D1Y0.76
C1A1,4-BIS-{[N-(1-IMINO-1GUANIDINO-
METHYL)]SULFANYLMETHYL}-3,6-DIMETHYL-
BENZENE
A2ANQ0.74
PTF[(METHYLSULFANYL)METHYL]BENZENEC,F1RHQ0.84
FPRPROPYLBENZENEC1RHK0.74
BDBA,B1KE30.75
PXYPARA-XYLENEA187L0.72
PXYPARA-XYLENEA225L0.72
SEHS-BENZYL PHENYLACETOTHIOHYDROXIMATE-
O-SULFATE
M1W9D0.73
NPYNAPHTHALENEA,B1O7G0.75
B70tripotassium (1R)-4-biphenyl-4-
yl-1-phosphonatobutane-1-sulfonate
A2ZCS0.73
TLD4-methylbenzene-1,2-dithiolA2Z940.7
I4BISOBUTYLBENZENEA184L0.74
1PB1,4-DIPHENYL-2-BUTENEA,B1OJ90.79
BPSA,B2DE40.71
OXEORTHO-XYLENEA,B3E0X0.77
OXEORTHO-XYLENEA188L0.77
PEYPHENANTHRENEA,B2HML0.74
PEYPHENANTHRENEA,B2HMK0.74
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
B69A2ZCR0.74
AN3ANTHRACENEA,B2HMN0.74
AN3ANTHRACENEA,B2HMM0.74
DENINDENEA183L0.71
IBZ2-IODOBENZYLTHIO GROUPA,B1CEL0.71
HZH1,1,1-trifluoro-3-[(2-phenylethyl)sulfanyl]propan-
2-one
A,B3DEA0.75
4BT2-{2-[4-(2-CARBAMIMIDOYLSULFANYL-
ETHYL)-PHENYL]-ETHYL}-ISOTHIOUREA
A,B1D1X0.74