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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01728532

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
DHID-HISTIDINEP1MCB0.84
DHID-HISTIDINEA2EZ70.84
DHID-HISTIDINEP1MCN0.84
DHID-HISTIDINEA,D1CZQ0.84
DHID-HISTIDINEI1ER80.84
DHID-HISTIDINEP1MCL0.84
DHID-HISTIDINEA,B,C,D3BOG0.84
DHID-HISTIDINEA,L1ZEA0.84
CSH[2-(2-HYDROXY-1-METHYL-ETHYL)-4-
(1H-IMIDAZOL-4-YLMETHYL)-5-OXO-
IMIDAZOLIDIN-1-YL]-ACETIC ACID
A2EMN0.75
CSH[2-(2-HYDROXY-1-METHYL-ETHYL)-4-
(1H-IMIDAZOL-4-YLMETHYL)-5-OXO-
IMIDAZOLIDIN-1-YL]-ACETIC ACID
A1EMF0.75
CSH[2-(2-HYDROXY-1-METHYL-ETHYL)-4-
(1H-IMIDAZOL-4-YLMETHYL)-5-OXO-
IMIDAZOLIDIN-1-YL]-ACETIC ACID
A2EMD0.75
CSH[2-(2-HYDROXY-1-METHYL-ETHYL)-4-
(1H-IMIDAZOL-4-YLMETHYL)-5-OXO-
IMIDAZOLIDIN-1-YL]-ACETIC ACID
A2EMO0.75
IIC4-IMIDAZOLMETHYLENE-5-IMIDAZOLONE CHROMOPHOREA1BFP0.77
GI2METHYL ACETATE-SUBSTITUTED GLUCOIMIDAZOLEA,B2J7E0.7
BDHL-BETA-ASPARTYLHISTIDINEA,B1YBQ0.81
PSH1-thiophosphono-L-histidineA2R7C0.83
3AH[HISTIDIN-1-YL-4H-[1,2,4]TRIAZOL-
5-YL]-AMINE
A,B,C,D1DGH0.8
HRBN-ACETYL-1-[(2R,3S,5R)-5-HYDROXY-
2-PENTYLTETRAHYDROFURAN-3-YL]-L-
HISTIDINE
H,L2DDQ0.74
HIAL-HISTIDINE AMIDEB1URL0.73
NEPN1-PHOSPHONOHISTIDINEA,B3FDZ0.84
NEPN1-PHOSPHONOHISTIDINEA,B,D,E2NU60.84
NEPN1-PHOSPHONOHISTIDINEA1E580.84
NEPN1-PHOSPHONOHISTIDINEA,B1TIP0.84
NEPN1-PHOSPHONOHISTIDINEA,B2QE60.84
NEPN1-PHOSPHONOHISTIDINEA,B,C1WVQ0.84
NEPN1-PHOSPHONOHISTIDINEA,B2HHJ0.84
NEPN1-PHOSPHONOHISTIDINEA,B,D,E,F,G,
H,I
2NU90.84
NEPN1-PHOSPHONOHISTIDINEA,B1EUD0.84
NEPN1-PHOSPHONOHISTIDINEA,D1SCU0.84
NEPN1-PHOSPHONOHISTIDINEA,B2FPP0.84
NEPN1-PHOSPHONOHISTIDINEA,B2HWG0.84
NEPN1-PHOSPHONOHISTIDINEA,B1VSQ0.84
NEPN1-PHOSPHONOHISTIDINEA,B2FPI0.84
NEPN1-PHOSPHONOHISTIDINEA1QWO0.84
NEPN1-PHOSPHONOHISTIDINEA,B,D,E2SCU0.84
NEPN1-PHOSPHONOHISTIDINEA,B2FP40.84
MH11-methyl-L-histidineA,B3G880.88
MH11-methyl-L-histidineA,B3G890.88
MH11-methyl-L-histidineA,B,C,D,E,F3G8A0.88
XXY2-[(1R,2R)-1-amino-2-hydroxypropyl]-
1-(carboxymethyl)-4-(1H-imidazol-
5-ylmethyl)-1H-imidazol-5-olate
A2FWQ0.72
720(2S)-5-AMINO-2-[(1-PROPYL-1H-IMIDAZOL-
4-YL)METHYL]PENTANOIC ACID
A2JEW0.88
HIPND1-PHOSPHONOHISTIDINEA,B,C,D,E,F2VME0.81
HIPND1-PHOSPHONOHISTIDINEA1NSP0.81
HIPND1-PHOSPHONOHISTIDINEA,B,C1NSQ0.81
HIPND1-PHOSPHONOHISTIDINEA1PFH0.81
HIPND1-PHOSPHONOHISTIDINEA1JEM0.81
HIC4-METHYL-HISTIDINEA2Q970.88
HIC4-METHYL-HISTIDINEA1QZ60.88
HIC4-METHYL-HISTIDINEA3CHW0.88
HIC4-METHYL-HISTIDINEA,B2GWK0.88
HIC4-METHYL-HISTIDINEA,B,D,E1MDU0.88
HIC4-METHYL-HISTIDINEA2ASO0.88
HIC4-METHYL-HISTIDINEA,B2D1K0.88
HIC4-METHYL-HISTIDINEA,S1C0F0.88
HIC4-METHYL-HISTIDINEA,D1ATN0.88
HIC4-METHYL-HISTIDINEA,B2A420.88
HIC4-METHYL-HISTIDINEA,P2BTF0.88
HIC4-METHYL-HISTIDINEA,B1LOT0.88
HIC4-METHYL-HISTIDINEA1NWK0.88
HIC4-METHYL-HISTIDINEA,S1C0G0.88
HIC4-METHYL-HISTIDINEA,S1EQY0.88
HIC4-METHYL-HISTIDINEA2PAV0.88
HIC4-METHYL-HISTIDINEA2Q0U0.88
HIC4-METHYL-HISTIDINEA,B2HMP0.88
HIC4-METHYL-HISTIDINEA2PBD0.88
HIC4-METHYL-HISTIDINEA,S1DEJ0.88
HIC4-METHYL-HISTIDINEA,S1ESV0.88
HIC4-METHYL-HISTIDINEA1J6Z0.88
HIC4-METHYL-HISTIDINEA1WUA0.88
HIC4-METHYL-HISTIDINEA,B1YXQ0.88
HIC4-METHYL-HISTIDINEA1S220.88
HIC4-METHYL-HISTIDINEA,B,D,E2A400.88
HIC4-METHYL-HISTIDINEA1QZ50.88
HIC4-METHYL-HISTIDINEA2ZWH0.88
HIC4-METHYL-HISTIDINEA,B2A410.88
HIC4-METHYL-HISTIDINEB1MA90.88
HIC4-METHYL-HISTIDINEA,G3CI50.88
HIC4-METHYL-HISTIDINEA1Y640.88
HIC4-METHYL-HISTIDINEA,P1HLU0.88
HIC4-METHYL-HISTIDINEA,B2A3Z0.88
HIC4-METHYL-HISTIDINEA2FXU0.88
HIC4-METHYL-HISTIDINEA,G3CIP0.88
HIC4-METHYL-HISTIDINEA2GWJ0.88
HIC4-METHYL-HISTIDINEA,B2VCP0.88
WY2(6,7-DIHYDRO-5H-CYCLOPENTA[D]IMIDAZO[2,1-
B]THIAZOL-2-YL]-4,7-DIHYDRO[1,4]THIAZEPINE-
3,6-DICARBOXYLIC ACID
A1Q2P0.75
WY2(6,7-DIHYDRO-5H-CYCLOPENTA[D]IMIDAZO[2,1-
B]THIAZOL-2-YL]-4,7-DIHYDRO[1,4]THIAZEPINE-
3,6-DICARBOXYLIC ACID
A1Q2Q0.75
PVHHISTIDINE-METHYL-ESTERB,D,F1IBV0.79
PVHHISTIDINE-METHYL-ESTERB,D,F1IBW0.79
GI4METHYL ACETIC ACID-SUBSTITUTED GLUCOIMIDAZOLEA,B2J7G0.72
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
WY47-(5,6-DIHYDRO-8H-IMIDAZO[2,1-C][1,4]OXAZIN-
2-YL)-6-FORMYL-2,7-DIHYDRO- [1,4]THIAZEPINE-
3-CARBOXYLIC ACID
A1ONG0.72
WY47-(5,6-DIHYDRO-8H-IMIDAZO[2,1-C][1,4]OXAZIN-
2-YL)-6-FORMYL-2,7-DIHYDRO- [1,4]THIAZEPINE-
3-CARBOXYLIC ACID
A1ONH0.72
DDE{3-[4-(2-AMINO-2-CARBOXY-ETHYL)-
1H-IMIDAZOL-2-YL]-1-CARBAMOYL-PROPYL}-
TRIMETHYL-AMMONIUM
T2P8Z0.81
DDE{3-[4-(2-AMINO-2-CARBOXY-ETHYL)-
1H-IMIDAZOL-2-YL]-1-CARBAMOYL-PROPYL}-
TRIMETHYL-AMMONIUM
T2P8Y0.81
DDE{3-[4-(2-AMINO-2-CARBOXY-ETHYL)-
1H-IMIDAZOL-2-YL]-1-CARBAMOYL-PROPYL}-
TRIMETHYL-AMMONIUM
A,B,C,D,E,F2ZIT0.81
DDE{3-[4-(2-AMINO-2-CARBOXY-ETHYL)-
1H-IMIDAZOL-2-YL]-1-CARBAMOYL-PROPYL}-
TRIMETHYL-AMMONIUM
A,C,E1ZM30.81
DDE{3-[4-(2-AMINO-2-CARBOXY-ETHYL)-
1H-IMIDAZOL-2-YL]-1-CARBAMOYL-PROPYL}-
TRIMETHYL-AMMONIUM
A1U2R0.81
DDE{3-[4-(2-AMINO-2-CARBOXY-ETHYL)-
1H-IMIDAZOL-2-YL]-1-CARBAMOYL-PROPYL}-
TRIMETHYL-AMMONIUM
A,B,C,D,E,F1ZM90.81
DDE{3-[4-(2-AMINO-2-CARBOXY-ETHYL)-
1H-IMIDAZOL-2-YL]-1-CARBAMOYL-PROPYL}-
TRIMETHYL-AMMONIUM
A,B,C,D,E,F3B780.81
DDE{3-[4-(2-AMINO-2-CARBOXY-ETHYL)-
1H-IMIDAZOL-2-YL]-1-CARBAMOYL-PROPYL}-
TRIMETHYL-AMMONIUM
A,B,C,D,E,F3B8H0.81
DDE{3-[4-(2-AMINO-2-CARBOXY-ETHYL)-
1H-IMIDAZOL-2-YL]-1-CARBAMOYL-PROPYL}-
TRIMETHYL-AMMONIUM
T2P8X0.81
DDE{3-[4-(2-AMINO-2-CARBOXY-ETHYL)-
1H-IMIDAZOL-2-YL]-1-CARBAMOYL-PROPYL}-
TRIMETHYL-AMMONIUM
A,B,C,D,E,F3B820.81
DDE{3-[4-(2-AMINO-2-CARBOXY-ETHYL)-
1H-IMIDAZOL-2-YL]-1-CARBAMOYL-PROPYL}-
TRIMETHYL-AMMONIUM
A,B,C,D,E,F1ZM40.81
DDE{3-[4-(2-AMINO-2-CARBOXY-ETHYL)-
1H-IMIDAZOL-2-YL]-1-CARBAMOYL-PROPYL}-
TRIMETHYL-AMMONIUM
A,C,E1ZM20.81
HIQ1-[1,2-DIHYDROXY-1-(HYDROXYMETHYL)ETHYL]-
L-HISTIDINE
A,B2IU40.86
RIGARGADINA,B1W9U0.73
RIGARGADINA1WAW0.73
MHSN1-METHYLATED HISTIDINEA,B,C,D,E,F1HBO0.88
MHSN1-METHYLATED HISTIDINEA,C,D,F1MRO0.88
MHSN1-METHYLATED HISTIDINEA,C,D,F1E6Y0.88
MHSN1-METHYLATED HISTIDINEA,B,C,D,E,F1HBM0.88
MHSN1-METHYLATED HISTIDINEA,B,C,D,E,F1HBN0.88
MHSN1-METHYLATED HISTIDINEA,B,C,D,E,F1HBU0.88
M0N(1-HYDROXY-2-IMIDAZO[1,2-A]PYRIDIN-
3-YLETHANE-1,1-DIYL)BIS(PHOSPHONIC ACID)
A2VF60.74
M0N(1-HYDROXY-2-IMIDAZO[1,2-A]PYRIDIN-
3-YLETHANE-1,1-DIYL)BIS(PHOSPHONIC ACID)
A,B2E920.74
M0N(1-HYDROXY-2-IMIDAZO[1,2-A]PYRIDIN-
3-YLETHANE-1,1-DIYL)BIS(PHOSPHONIC ACID)
A,B2EWG0.74
M0N(1-HYDROXY-2-IMIDAZO[1,2-A]PYRIDIN-
3-YLETHANE-1,1-DIYL)BIS(PHOSPHONIC ACID)
A3B7L0.74
HSOHISTIDINOLA,B1H3J0.72
HSOHISTIDINOLA,B,C,D1KMN0.72
HSOHISTIDINOLA,B2FPU0.72
HSOHISTIDINOLA,B1KAE0.72
HSOHISTIDINOLN2BKD0.72