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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03203805

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
HIAL-HISTIDINE AMIDEB1URL0.72
IIC4-IMIDAZOLMETHYLENE-5-IMIDAZOLONE CHROMOPHOREA1BFP0.78
BDHL-BETA-ASPARTYLHISTIDINEA,B1YBQ0.81
HIQ1-[1,2-DIHYDROXY-1-(HYDROXYMETHYL)ETHYL]-
L-HISTIDINE
A,B2IU40.82
XXY2-[(1R,2R)-1-amino-2-hydroxypropyl]-
1-(carboxymethyl)-4-(1H-imidazol-
5-ylmethyl)-1H-imidazol-5-olate
A2FWQ0.78
PSH1-thiophosphono-L-histidineA2R7C0.76
MH11-methyl-L-histidineA,B3G880.79
MH11-methyl-L-histidineA,B3G890.79
MH11-methyl-L-histidineA,B,C,D,E,F3G8A0.79
HRBN-ACETYL-1-[(2R,3S,5R)-5-HYDROXY-
2-PENTYLTETRAHYDROFURAN-3-YL]-L-
HISTIDINE
H,L2DDQ0.75
CSH[2-(2-HYDROXY-1-METHYL-ETHYL)-4-
(1H-IMIDAZOL-4-YLMETHYL)-5-OXO-
IMIDAZOLIDIN-1-YL]-ACETIC ACID
A2EMN0.8
CSH[2-(2-HYDROXY-1-METHYL-ETHYL)-4-
(1H-IMIDAZOL-4-YLMETHYL)-5-OXO-
IMIDAZOLIDIN-1-YL]-ACETIC ACID
A1EMF0.8
CSH[2-(2-HYDROXY-1-METHYL-ETHYL)-4-
(1H-IMIDAZOL-4-YLMETHYL)-5-OXO-
IMIDAZOLIDIN-1-YL]-ACETIC ACID
A2EMD0.8
CSH[2-(2-HYDROXY-1-METHYL-ETHYL)-4-
(1H-IMIDAZOL-4-YLMETHYL)-5-OXO-
IMIDAZOLIDIN-1-YL]-ACETIC ACID
A2EMO0.8
HSAPHOSPHORIC ACID MONO-[2-AMINO-3-
(3H-IMIDAZOL-4-YL)-PROPYL]ESTER
A1GEX0.72
HSAPHOSPHORIC ACID MONO-[2-AMINO-3-
(3H-IMIDAZOL-4-YL)-PROPYL]ESTER
A,B,C,D1UU10.72
HSAPHOSPHORIC ACID MONO-[2-AMINO-3-
(3H-IMIDAZOL-4-YL)-PROPYL]ESTER
A1FG30.72
HS83-(1-sulfo-1H-imidazol-3-ium-4-
yl)-L-alanine
A,B3ETS0.81
HS83-(1-sulfo-1H-imidazol-3-ium-4-
yl)-L-alanine
A,B3ETT0.81
HSOHISTIDINOLA,B1H3J0.73
HSOHISTIDINOLA,B,C,D1KMN0.73
HSOHISTIDINOLA,B2FPU0.73
HSOHISTIDINOLA,B1KAE0.73
HSOHISTIDINOLN2BKD0.73
NEPN1-PHOSPHONOHISTIDINEA,B3FDZ0.76
NEPN1-PHOSPHONOHISTIDINEA,B,D,E2NU60.76
NEPN1-PHOSPHONOHISTIDINEA1E580.76
NEPN1-PHOSPHONOHISTIDINEA,B1TIP0.76
NEPN1-PHOSPHONOHISTIDINEA,B2QE60.76
NEPN1-PHOSPHONOHISTIDINEA,B,C1WVQ0.76
NEPN1-PHOSPHONOHISTIDINEA,B2HHJ0.76
NEPN1-PHOSPHONOHISTIDINEA,B,D,E,F,G,
H,I
2NU90.76
NEPN1-PHOSPHONOHISTIDINEA,B1EUD0.76
NEPN1-PHOSPHONOHISTIDINEA,D1SCU0.76
NEPN1-PHOSPHONOHISTIDINEA,B2FPP0.76
NEPN1-PHOSPHONOHISTIDINEA,B2HWG0.76
NEPN1-PHOSPHONOHISTIDINEA,B1VSQ0.76
NEPN1-PHOSPHONOHISTIDINEA,B2FPI0.76
NEPN1-PHOSPHONOHISTIDINEA1QWO0.76
NEPN1-PHOSPHONOHISTIDINEA,B,D,E2SCU0.76
NEPN1-PHOSPHONOHISTIDINEA,B2FP40.76
GI4METHYL ACETIC ACID-SUBSTITUTED GLUCOIMIDAZOLEA,B2J7G0.7
GI2METHYL ACETATE-SUBSTITUTED GLUCOIMIDAZOLEA,B2J7E0.71
720(2S)-5-AMINO-2-[(1-PROPYL-1H-IMIDAZOL-
4-YL)METHYL]PENTANOIC ACID
A2JEW0.73
HIPND1-PHOSPHONOHISTIDINEA,B,C,D,E,F2VME0.79
HIPND1-PHOSPHONOHISTIDINEA1NSP0.79
HIPND1-PHOSPHONOHISTIDINEA,B,C1NSQ0.79
HIPND1-PHOSPHONOHISTIDINEA1PFH0.79
HIPND1-PHOSPHONOHISTIDINEA1JEM0.79
HIC4-METHYL-HISTIDINEA2Q970.79
HIC4-METHYL-HISTIDINEA1QZ60.79
HIC4-METHYL-HISTIDINEA3CHW0.79
HIC4-METHYL-HISTIDINEA,B2GWK0.79
HIC4-METHYL-HISTIDINEA,B,D,E1MDU0.79
HIC4-METHYL-HISTIDINEA2ASO0.79
HIC4-METHYL-HISTIDINEA,B2D1K0.79
HIC4-METHYL-HISTIDINEA,S1C0F0.79
HIC4-METHYL-HISTIDINEA,D1ATN0.79
HIC4-METHYL-HISTIDINEA,B2A420.79
HIC4-METHYL-HISTIDINEA,P2BTF0.79
HIC4-METHYL-HISTIDINEA,B1LOT0.79
HIC4-METHYL-HISTIDINEA1NWK0.79
HIC4-METHYL-HISTIDINEA,S1C0G0.79
HIC4-METHYL-HISTIDINEA,S1EQY0.79
HIC4-METHYL-HISTIDINEA2PAV0.79
HIC4-METHYL-HISTIDINEA2Q0U0.79
HIC4-METHYL-HISTIDINEA,B2HMP0.79
HIC4-METHYL-HISTIDINEA2PBD0.79
HIC4-METHYL-HISTIDINEA,S1DEJ0.79
HIC4-METHYL-HISTIDINEA,S1ESV0.79
HIC4-METHYL-HISTIDINEA1J6Z0.79
HIC4-METHYL-HISTIDINEA1WUA0.79
HIC4-METHYL-HISTIDINEA,B1YXQ0.79
HIC4-METHYL-HISTIDINEA1S220.79
HIC4-METHYL-HISTIDINEA,B,D,E2A400.79
HIC4-METHYL-HISTIDINEA1QZ50.79
HIC4-METHYL-HISTIDINEA2ZWH0.79
HIC4-METHYL-HISTIDINEA,B2A410.79
HIC4-METHYL-HISTIDINEB1MA90.79
HIC4-METHYL-HISTIDINEA,G3CI50.79
HIC4-METHYL-HISTIDINEA1Y640.79
HIC4-METHYL-HISTIDINEA,P1HLU0.79
HIC4-METHYL-HISTIDINEA,B2A3Z0.79
HIC4-METHYL-HISTIDINEA2FXU0.79
HIC4-METHYL-HISTIDINEA,G3CIP0.79
HIC4-METHYL-HISTIDINEA2GWJ0.79
HIC4-METHYL-HISTIDINEA,B2VCP0.79
3AH[HISTIDIN-1-YL-4H-[1,2,4]TRIAZOL-
5-YL]-AMINE
A,B,C,D1DGH0.75
RIGARGADINA,B1W9U0.73
RIGARGADINA1WAW0.73
DDE{3-[4-(2-AMINO-2-CARBOXY-ETHYL)-
1H-IMIDAZOL-2-YL]-1-CARBAMOYL-PROPYL}-
TRIMETHYL-AMMONIUM
T2P8Z0.83
DDE{3-[4-(2-AMINO-2-CARBOXY-ETHYL)-
1H-IMIDAZOL-2-YL]-1-CARBAMOYL-PROPYL}-
TRIMETHYL-AMMONIUM
T2P8Y0.83
DDE{3-[4-(2-AMINO-2-CARBOXY-ETHYL)-
1H-IMIDAZOL-2-YL]-1-CARBAMOYL-PROPYL}-
TRIMETHYL-AMMONIUM
A,B,C,D,E,F2ZIT0.83
DDE{3-[4-(2-AMINO-2-CARBOXY-ETHYL)-
1H-IMIDAZOL-2-YL]-1-CARBAMOYL-PROPYL}-
TRIMETHYL-AMMONIUM
A,C,E1ZM30.83
DDE{3-[4-(2-AMINO-2-CARBOXY-ETHYL)-
1H-IMIDAZOL-2-YL]-1-CARBAMOYL-PROPYL}-
TRIMETHYL-AMMONIUM
A1U2R0.83
DDE{3-[4-(2-AMINO-2-CARBOXY-ETHYL)-
1H-IMIDAZOL-2-YL]-1-CARBAMOYL-PROPYL}-
TRIMETHYL-AMMONIUM
A,B,C,D,E,F1ZM90.83
DDE{3-[4-(2-AMINO-2-CARBOXY-ETHYL)-
1H-IMIDAZOL-2-YL]-1-CARBAMOYL-PROPYL}-
TRIMETHYL-AMMONIUM
A,B,C,D,E,F3B780.83
DDE{3-[4-(2-AMINO-2-CARBOXY-ETHYL)-
1H-IMIDAZOL-2-YL]-1-CARBAMOYL-PROPYL}-
TRIMETHYL-AMMONIUM
A,B,C,D,E,F3B8H0.83
DDE{3-[4-(2-AMINO-2-CARBOXY-ETHYL)-
1H-IMIDAZOL-2-YL]-1-CARBAMOYL-PROPYL}-
TRIMETHYL-AMMONIUM
T2P8X0.83
DDE{3-[4-(2-AMINO-2-CARBOXY-ETHYL)-
1H-IMIDAZOL-2-YL]-1-CARBAMOYL-PROPYL}-
TRIMETHYL-AMMONIUM
A,B,C,D,E,F3B820.83
DDE{3-[4-(2-AMINO-2-CARBOXY-ETHYL)-
1H-IMIDAZOL-2-YL]-1-CARBAMOYL-PROPYL}-
TRIMETHYL-AMMONIUM
A,B,C,D,E,F1ZM40.83
DDE{3-[4-(2-AMINO-2-CARBOXY-ETHYL)-
1H-IMIDAZOL-2-YL]-1-CARBAMOYL-PROPYL}-
TRIMETHYL-AMMONIUM
A,C,E1ZM20.83
MHSN1-METHYLATED HISTIDINEA,B,C,D,E,F1HBO0.79
MHSN1-METHYLATED HISTIDINEA,C,D,F1MRO0.79
MHSN1-METHYLATED HISTIDINEA,C,D,F1E6Y0.79
MHSN1-METHYLATED HISTIDINEA,B,C,D,E,F1HBM0.79
MHSN1-METHYLATED HISTIDINEA,B,C,D,E,F1HBN0.79
MHSN1-METHYLATED HISTIDINEA,B,C,D,E,F1HBU0.79
PVHHISTIDINE-METHYL-ESTERB,D,F1IBV0.8
PVHHISTIDINE-METHYL-ESTERB,D,F1IBW0.8
DHID-HISTIDINEP1MCB0.81
DHID-HISTIDINEA2EZ70.81
DHID-HISTIDINEP1MCN0.81
DHID-HISTIDINEA,D1CZQ0.81
DHID-HISTIDINEI1ER80.81
DHID-HISTIDINEP1MCL0.81
DHID-HISTIDINEA,B,C,D3BOG0.81
DHID-HISTIDINEA,L1ZEA0.81