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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03236055

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
OXEORTHO-XYLENEA,B3E0X0.74
OXEORTHO-XYLENEA188L0.74
SMLPHENYL METHYL SULFONEA,I1D6W0.72
SMLPHENYL METHYL SULFONEA,I1D9I0.72
PBAPHENYLETHANE BORONIC ACIDC,G6CHA0.71
MBNTOLUENEA,B3D7O0.75
MBNTOLUENEA,B1R1X0.75
MBNTOLUENEA,B1JLX0.75
MBNTOLUENEA,B,C,D3D170.75
MBNTOLUENEA,B2VRL0.75
MBNTOLUENEA,I2Z3E0.75
MBNTOLUENEA,B1YZI0.75
MBNTOLUENEA,B2DN10.75
MBNTOLUENEA,B3EN10.75
TLD4-methylbenzene-1,2-dithiolA2Z940.78
NPYNAPHTHALENEA,B1O7G0.72
1PB1,4-DIPHENYL-2-BUTENEA,B1OJ90.81
PYLPHENYLETHANEC1B070.76
PYLPHENYLETHANEA,B2VRM0.76
PYLPHENYLETHANEA1NHB0.76
BDBA,B1KE30.72
I4BISOBUTYLBENZENEA184L0.74
BZBBENZO[B]THIOPHENE-2-BORONIC ACIDA,B3FKV0.73
BZBBENZO[B]THIOPHENE-2-BORONIC ACIDA,B1C3B0.73
N4BN-BUTYLBENZENEA186L0.76
BPSA,B2DE40.74
PXYPARA-XYLENEA187L0.76
PXYPARA-XYLENEA225L0.76
PTF[(METHYLSULFANYL)METHYL]BENZENEC,F1RHQ0.83
HZH1,1,1-trifluoro-3-[(2-phenylethyl)sulfanyl]propan-
2-one
A,B3DEA0.72
BT6benzenethiolA,B,C,D3HSR0.7
TOSP-SULFINOTOLUENEH1ETT0.73
TOSP-SULFINOTOLUENEI4PAD0.73
TOSP-SULFINOTOLUENEA1EST0.73
TOSP-SULFINOTOLUENEC,G2CHA0.73
TOSP-SULFINOTOLUENEE1PPH0.73
PVS(ethenylsulfonyl)benzeneA3BLU0.71
FPRPROPYLBENZENEC1RHK0.76
IBZ2-IODOBENZYLTHIO GROUPA,B1CEL0.71
TSUPARA-TOLUENE SULFONATEA,B1WUW0.73
TSUPARA-TOLUENE SULFONATEA1B0D0.73
2IB2-IODOBENZYL GROUPI,J,K,L,M,N,
O,P
1GUL0.71