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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03356546

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
AHC4-AMINOHYDROCINNAMIC ACIDA,B2AY10.72
GTBS-(P-NITROBENZYL)GLUTATHIONEA,B2OAD0.82
GTBS-(P-NITROBENZYL)GLUTATHIONEA,B,C,D,E,F1GTI0.82
GTBS-(P-NITROBENZYL)GLUTATHIONEA,B2OAC0.82
GTBS-(P-NITROBENZYL)GLUTATHIONEA,B1GLQ0.82
GTBS-(P-NITROBENZYL)GLUTATHIONEB,D2QMC0.82
GTBS-(P-NITROBENZYL)GLUTATHIONEA,B2VO40.82
GTBS-(P-NITROBENZYL)GLUTATHIONEA,B,C,D1K0C0.82
CS1S-(2-ANILINYL-SULFANYL)-CYSTEINEA,B2OMA0.73
DOF(S)-2-(4-NITROBENZYL)-1,4,7,10-
TETRAAZACYCLODODECANE-N,N',N'',N'''-
TETRAACETATE
A,B,C,D1NC40.76
PNCPARA-NITROBENZYL GLUTARYL GLYCINIC ACIDL1YEF0.78
PRQ(3S)-3-amino-3-(2-nitrophenyl)propanoic acidC,F,I,L2VE60.77
4NM4-NITROPHENYL METHANETHIOLA,B2VO40.74
PNZP-NITRO-BENZYLAMINEA,D,H2HJ40.75
PNZP-NITRO-BENZYLAMINEA,B2C700.75
FOE2-(2-AMINO-3-OXO-PROPYLSULFANYL)-
N-(4-FLUORO-PHENYL)-N-ISOPROPYL-
ACETAMIDE
B1BX90.73
GDNGLUTATHIONE S-(2,4 DINITROBENZENE)A,B5GST0.71
GDNGLUTATHIONE S-(2,4 DINITROBENZENE)A1HNA0.71
GDNGLUTATHIONE S-(2,4 DINITROBENZENE)A,B1VF30.71
GDNGLUTATHIONE S-(2,4 DINITROBENZENE)A,B,C,D1HNC0.71
GDNGLUTATHIONE S-(2,4 DINITROBENZENE)A,B,C1XWK0.71
GDNGLUTATHIONE S-(2,4 DINITROBENZENE)A,B18GS0.71
GDNGLUTATHIONE S-(2,4 DINITROBENZENE)A1GSQ0.71
GDNGLUTATHIONE S-(2,4 DINITROBENZENE)A,B1HNB0.71
53N3-[5-(3-nitrophenyl)thiophen-2-
yl]propanoic acid
A3DN50.74
AAHH1KEL0.75
AAHB,H1FL60.75
MNP2-(3-NITROPHENYL)ACETIC ACIDB1AI50.72
AAN2-(4-NITROPHENYL)ACETIC ACIDB1AJN0.75
BCSBENZYLCYSTEINEA,B,G,H10GS0.74
BCSBENZYLCYSTEINEA1EH80.74
TYXS-(2-ANILINO-2-OXOETHYL)-L-CYSTEINEA2PQT0.74
GNBS-P-NITROBENZYLOXYCARBONYLGLUTATHIONEA,B,C,D1QIP0.71
DOE(S)-2-(4-(2-(2-HYDROXYETHYLTHIO)-
ACETAMIDO)-BENZYL)-1,4,7,10-TETRAAZACYCLODODECANE-
N,N',N'',N'''-TETRAACETATE
A,B,C,D1NC20.71
TNSA,B,L2G2R0.75
TNBS-(2,3,6-TRINITROPHENYL)CYSTEINEA,B,C,D,E,F,
G,H
1AQX0.8
PPNPARA-NITROPHENYLALANINEI1YTJ0.85
R1F3-{[(2,2,5,5-TETRAMETHYL-1-OXO-
4-PHENYL-2,5-DIHYDRO-1H-PYRROLIUM-
3-YL)METHYL]DISULFANYL}-D-ALANINE
A1ZUR0.72
TPY(2S,3S)-3-FORMYL-2-({[(4-NITROPHENYL)SULFONYL]AMINO}METHYL)PENTANOIC ACIDB1E360.74
TPY(2S,3S)-3-FORMYL-2-({[(4-NITROPHENYL)SULFONYL]AMINO}METHYL)PENTANOIC ACIDB1E370.74
TPY(2S,3S)-3-FORMYL-2-({[(4-NITROPHENYL)SULFONYL]AMINO}METHYL)PENTANOIC ACIDB1E380.74
NIYMETA-NITRO-TYROSINEA2ADP0.71
NIYMETA-NITRO-TYROSINEA3DIV0.71
NIYMETA-NITRO-TYROSINEA2H5U0.71
NIYMETA-NITRO-TYROSINEA1K4Q0.71
NIYMETA-NITRO-TYROSINEB,G,O,Y1SDA0.71