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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02349211

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
PVS(ethenylsulfonyl)benzeneA3BLU0.73
BBS4-TERT-BUTYLBENZENESULFONIC ACIDB1EOJ0.75
BBS4-TERT-BUTYLBENZENESULFONIC ACIDB1EOL0.75
I4BISOBUTYLBENZENEA184L0.77
PTF[(METHYLSULFANYL)METHYL]BENZENEC,F1RHQ0.85
BZBBENZO[B]THIOPHENE-2-BORONIC ACIDA,B3FKV0.7
BZBBENZO[B]THIOPHENE-2-BORONIC ACIDA,B1C3B0.7
PXYPARA-XYLENEA187L0.75
PXYPARA-XYLENEA225L0.75
IBZ2-IODOBENZYLTHIO GROUPA,B1CEL0.72
FPRPROPYLBENZENEC1RHK0.77
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
SMLPHENYL METHYL SULFONEA,I1D6W0.74
SMLPHENYL METHYL SULFONEA,I1D9I0.74
1PB1,4-DIPHENYL-2-BUTENEA,B1OJ90.75
TLD4-methylbenzene-1,2-dithiolA2Z940.8
BPSA,B2DE40.73
TOSP-SULFINOTOLUENEH1ETT0.75
TOSP-SULFINOTOLUENEI4PAD0.75
TOSP-SULFINOTOLUENEA1EST0.75
TOSP-SULFINOTOLUENEC,G2CHA0.75
TOSP-SULFINOTOLUENEE1PPH0.75
4BT2-{2-[4-(2-CARBAMIMIDOYLSULFANYL-
ETHYL)-PHENYL]-ETHYL}-ISOTHIOUREA
A,B1D1X0.73
TSUPARA-TOLUENE SULFONATEA,B1WUW0.74
TSUPARA-TOLUENE SULFONATEA1B0D0.74
3BT2-{2-[3-(2-CARBAMIMIDOYLSULFANYL-
ETHYL)-PHENYL]-ETHYL}-ISOTHIOUREA
A,B1D1Y0.73
N4BN-BUTYLBENZENEA186L0.77
BDBA,B1KE30.71
PYLPHENYLETHANEC1B070.77
PYLPHENYLETHANEA,B2VRM0.77
PYLPHENYLETHANEA1NHB0.77
PBAPHENYLETHANE BORONIC ACIDC,G6CHA0.73
HZH1,1,1-trifluoro-3-[(2-phenylethyl)sulfanyl]propan-
2-one
A,B3DEA0.73