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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02660241

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
3AH[HISTIDIN-1-YL-4H-[1,2,4]TRIAZOL-
5-YL]-AMINE
A,B,C,D1DGH0.71
HS83-(1-sulfo-1H-imidazol-3-ium-4-
yl)-L-alanine
A,B3ETS0.7
HS83-(1-sulfo-1H-imidazol-3-ium-4-
yl)-L-alanine
A,B3ETT0.7
HIC4-METHYL-HISTIDINEA2Q970.78
HIC4-METHYL-HISTIDINEA1QZ60.78
HIC4-METHYL-HISTIDINEA3CHW0.78
HIC4-METHYL-HISTIDINEA,B2GWK0.78
HIC4-METHYL-HISTIDINEA,B,D,E1MDU0.78
HIC4-METHYL-HISTIDINEA2ASO0.78
HIC4-METHYL-HISTIDINEA,B2D1K0.78
HIC4-METHYL-HISTIDINEA,S1C0F0.78
HIC4-METHYL-HISTIDINEA,D1ATN0.78
HIC4-METHYL-HISTIDINEA,B2A420.78
HIC4-METHYL-HISTIDINEA,P2BTF0.78
HIC4-METHYL-HISTIDINEA,B1LOT0.78
HIC4-METHYL-HISTIDINEA1NWK0.78
HIC4-METHYL-HISTIDINEA,S1C0G0.78
HIC4-METHYL-HISTIDINEA,S1EQY0.78
HIC4-METHYL-HISTIDINEA2PAV0.78
HIC4-METHYL-HISTIDINEA2Q0U0.78
HIC4-METHYL-HISTIDINEA,B2HMP0.78
HIC4-METHYL-HISTIDINEA2PBD0.78
HIC4-METHYL-HISTIDINEA,S1DEJ0.78
HIC4-METHYL-HISTIDINEA,S1ESV0.78
HIC4-METHYL-HISTIDINEA1J6Z0.78
HIC4-METHYL-HISTIDINEA1WUA0.78
HIC4-METHYL-HISTIDINEA,B1YXQ0.78
HIC4-METHYL-HISTIDINEA1S220.78
HIC4-METHYL-HISTIDINEA,B,D,E2A400.78
HIC4-METHYL-HISTIDINEA1QZ50.78
HIC4-METHYL-HISTIDINEA2ZWH0.78
HIC4-METHYL-HISTIDINEA,B2A410.78
HIC4-METHYL-HISTIDINEB1MA90.78
HIC4-METHYL-HISTIDINEA,G3CI50.78
HIC4-METHYL-HISTIDINEA1Y640.78
HIC4-METHYL-HISTIDINEA,P1HLU0.78
HIC4-METHYL-HISTIDINEA,B2A3Z0.78
HIC4-METHYL-HISTIDINEA2FXU0.78
HIC4-METHYL-HISTIDINEA,G3CIP0.78
HIC4-METHYL-HISTIDINEA2GWJ0.78
HIC4-METHYL-HISTIDINEA,B2VCP0.78
NEPN1-PHOSPHONOHISTIDINEA,B3FDZ0.72
NEPN1-PHOSPHONOHISTIDINEA,B,D,E2NU60.72
NEPN1-PHOSPHONOHISTIDINEA1E580.72
NEPN1-PHOSPHONOHISTIDINEA,B1TIP0.72
NEPN1-PHOSPHONOHISTIDINEA,B2QE60.72
NEPN1-PHOSPHONOHISTIDINEA,B,C1WVQ0.72
NEPN1-PHOSPHONOHISTIDINEA,B2HHJ0.72
NEPN1-PHOSPHONOHISTIDINEA,B,D,E,F,G,
H,I
2NU90.72
NEPN1-PHOSPHONOHISTIDINEA,B1EUD0.72
NEPN1-PHOSPHONOHISTIDINEA,D1SCU0.72
NEPN1-PHOSPHONOHISTIDINEA,B2FPP0.72
NEPN1-PHOSPHONOHISTIDINEA,B2HWG0.72
NEPN1-PHOSPHONOHISTIDINEA,B1VSQ0.72
NEPN1-PHOSPHONOHISTIDINEA,B2FPI0.72
NEPN1-PHOSPHONOHISTIDINEA1QWO0.72
NEPN1-PHOSPHONOHISTIDINEA,B,D,E2SCU0.72
NEPN1-PHOSPHONOHISTIDINEA,B2FP40.72
DHID-HISTIDINEP1MCB0.73
DHID-HISTIDINEA2EZ70.73
DHID-HISTIDINEP1MCN0.73
DHID-HISTIDINEA,D1CZQ0.73
DHID-HISTIDINEI1ER80.73
DHID-HISTIDINEP1MCL0.73
DHID-HISTIDINEA,B,C,D3BOG0.73
DHID-HISTIDINEA,L1ZEA0.73
DDE{3-[4-(2-AMINO-2-CARBOXY-ETHYL)-
1H-IMIDAZOL-2-YL]-1-CARBAMOYL-PROPYL}-
TRIMETHYL-AMMONIUM
T2P8Z0.74
DDE{3-[4-(2-AMINO-2-CARBOXY-ETHYL)-
1H-IMIDAZOL-2-YL]-1-CARBAMOYL-PROPYL}-
TRIMETHYL-AMMONIUM
T2P8Y0.74
DDE{3-[4-(2-AMINO-2-CARBOXY-ETHYL)-
1H-IMIDAZOL-2-YL]-1-CARBAMOYL-PROPYL}-
TRIMETHYL-AMMONIUM
A,B,C,D,E,F2ZIT0.74
DDE{3-[4-(2-AMINO-2-CARBOXY-ETHYL)-
1H-IMIDAZOL-2-YL]-1-CARBAMOYL-PROPYL}-
TRIMETHYL-AMMONIUM
A,C,E1ZM30.74
DDE{3-[4-(2-AMINO-2-CARBOXY-ETHYL)-
1H-IMIDAZOL-2-YL]-1-CARBAMOYL-PROPYL}-
TRIMETHYL-AMMONIUM
A1U2R0.74
DDE{3-[4-(2-AMINO-2-CARBOXY-ETHYL)-
1H-IMIDAZOL-2-YL]-1-CARBAMOYL-PROPYL}-
TRIMETHYL-AMMONIUM
A,B,C,D,E,F1ZM90.74
DDE{3-[4-(2-AMINO-2-CARBOXY-ETHYL)-
1H-IMIDAZOL-2-YL]-1-CARBAMOYL-PROPYL}-
TRIMETHYL-AMMONIUM
A,B,C,D,E,F3B780.74
DDE{3-[4-(2-AMINO-2-CARBOXY-ETHYL)-
1H-IMIDAZOL-2-YL]-1-CARBAMOYL-PROPYL}-
TRIMETHYL-AMMONIUM
A,B,C,D,E,F3B8H0.74
DDE{3-[4-(2-AMINO-2-CARBOXY-ETHYL)-
1H-IMIDAZOL-2-YL]-1-CARBAMOYL-PROPYL}-
TRIMETHYL-AMMONIUM
T2P8X0.74
DDE{3-[4-(2-AMINO-2-CARBOXY-ETHYL)-
1H-IMIDAZOL-2-YL]-1-CARBAMOYL-PROPYL}-
TRIMETHYL-AMMONIUM
A,B,C,D,E,F3B820.74
DDE{3-[4-(2-AMINO-2-CARBOXY-ETHYL)-
1H-IMIDAZOL-2-YL]-1-CARBAMOYL-PROPYL}-
TRIMETHYL-AMMONIUM
A,B,C,D,E,F1ZM40.74
DDE{3-[4-(2-AMINO-2-CARBOXY-ETHYL)-
1H-IMIDAZOL-2-YL]-1-CARBAMOYL-PROPYL}-
TRIMETHYL-AMMONIUM
A,C,E1ZM20.74
720(2S)-5-AMINO-2-[(1-PROPYL-1H-IMIDAZOL-
4-YL)METHYL]PENTANOIC ACID
A2JEW0.87
MHSN1-METHYLATED HISTIDINEA,B,C,D,E,F1HBO0.78
MHSN1-METHYLATED HISTIDINEA,C,D,F1MRO0.78
MHSN1-METHYLATED HISTIDINEA,C,D,F1E6Y0.78
MHSN1-METHYLATED HISTIDINEA,B,C,D,E,F1HBM0.78
MHSN1-METHYLATED HISTIDINEA,B,C,D,E,F1HBN0.78
MHSN1-METHYLATED HISTIDINEA,B,C,D,E,F1HBU0.78
PVHHISTIDINE-METHYL-ESTERB,D,F1IBV0.76
PVHHISTIDINE-METHYL-ESTERB,D,F1IBW0.76
HIQ1-[1,2-DIHYDROXY-1-(HYDROXYMETHYL)ETHYL]-
L-HISTIDINE
A,B2IU40.74
PSH1-thiophosphono-L-histidineA2R7C0.72
MH11-methyl-L-histidineA,B3G880.78
MH11-methyl-L-histidineA,B3G890.78
MH11-methyl-L-histidineA,B,C,D,E,F3G8A0.78