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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01714701

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
BP4BIPHENYL-4-YL-ACETALDEHYDEA,B,E,F,G,H1MHW0.71
CPMS-(2-CARBOXY-3-PHENYLPROPYL)THIODIIMINE-
S-METHANE
A1CPS0.72
BTP2-THIOMETHYL-3-PHENYLPROPANOIC ACIDA,B1JAO0.73
DMW2,3-DIMETHYL-1,4-NAPHTHOQUINONEA,B,C,D,E,F2BS40.7
HZH1,1,1-trifluoro-3-[(2-phenylethyl)sulfanyl]propan-
2-one
A,B3DEA0.76
M5P(S)-2-(MERCAPTOMETHYL)-5-PHENYLPENTANOIC ACIDA,B2YZ30.73
AC01-PHENYLETHANONEA1ZK10.75
AC01-PHENYLETHANONEA1ZK40.75
HY1PHENYLACETALDEHYDED,H2I0S0.72
HY1PHENYLACETALDEHYDEA,B1D6Y0.72
HY1PHENYLACETALDEHYDEA,B1D6Z0.72
HY1PHENYLACETALDEHYDED,H2OK40.72
HY1PHENYLACETALDEHYDEA,B1D6U0.72
BZQDIPHENYLMETHANONEA,B1GT50.74
BZQDIPHENYLMETHANONEA,B1DZP0.74
STF(5R)-2-SULFANYL-5-[4-(TRIFLUOROMETHYL)BENZYL]-
1,3-THIAZOL-4-ONE
A2EXG0.72
PQNPHYLLOQUINONEA,B,C,F,I,J,
K,L,M,X
1JB00.7
PQNPHYLLOQUINONE1,2,3,4,A,B,
C,F,G,H,I,J,
K,L
2O010.7
PQNPHYLLOQUINONEA,B,C,F,K,L2PPS0.7
PQNPHYLLOQUINONEA,B,C,F,K,L1C510.7
PQNPHYLLOQUINONE0,1,2,3,4,5,
6,7,8,9,A,B,
C,F,G,H,J,K,
L,P,Q,R,U,V,
W,Z
1QZV0.7
VK3MENADIONEA1TUV0.7
VK3MENADIONEA,B2QR20.7
3PL3-PHENYLPROPANALE1Y3G0.73
1LPTRANYLCYPROMINEA,B1OJB0.75
PTF[(METHYLSULFANYL)METHYL]BENZENEC,F1RHQ0.71
LEG1-(4-HEXYLPHENYL)PROP-2-EN-1-ONEA,B2PIN0.74