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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02370020

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
HS83-(1-sulfo-1H-imidazol-3-ium-4-
yl)-L-alanine
A,B3ETS0.86
HS83-(1-sulfo-1H-imidazol-3-ium-4-
yl)-L-alanine
A,B3ETT0.86
MHSN1-METHYLATED HISTIDINEA,B,C,D,E,F1HBO0.84
MHSN1-METHYLATED HISTIDINEA,C,D,F1MRO0.84
MHSN1-METHYLATED HISTIDINEA,C,D,F1E6Y0.84
MHSN1-METHYLATED HISTIDINEA,B,C,D,E,F1HBM0.84
MHSN1-METHYLATED HISTIDINEA,B,C,D,E,F1HBN0.84
MHSN1-METHYLATED HISTIDINEA,B,C,D,E,F1HBU0.84
HSOHISTIDINOLA,B1H3J0.8
HSOHISTIDINOLA,B,C,D1KMN0.8
HSOHISTIDINOLA,B2FPU0.8
HSOHISTIDINOLA,B1KAE0.8
HSOHISTIDINOLN2BKD0.8
NZH(2S)-2-AMINO-3-[1-(1H-TETRAAZOL-
5-YL)-1H-IMIDAZOL-4-YL]PROPANAL
A1WVP0.71
HIAL-HISTIDINE AMIDEB1URL0.78
PVHHISTIDINE-METHYL-ESTERB,D,F1IBV0.86
PVHHISTIDINE-METHYL-ESTERB,D,F1IBW0.86
PSH1-thiophosphono-L-histidineA2R7C0.81
HIPND1-PHOSPHONOHISTIDINEA,B,C,D,E,F2VME0.85
HIPND1-PHOSPHONOHISTIDINEA1NSP0.85
HIPND1-PHOSPHONOHISTIDINEA,B,C1NSQ0.85
HIPND1-PHOSPHONOHISTIDINEA1PFH0.85
HIPND1-PHOSPHONOHISTIDINEA1JEM0.85
BDHL-BETA-ASPARTYLHISTIDINEA,B1YBQ0.83
GI2METHYL ACETATE-SUBSTITUTED GLUCOIMIDAZOLEA,B2J7E0.74
CHQCYCLO-(L-HISTIDINE-L-PROLINE) INHIBITORA,B1W1T0.71
HIC4-METHYL-HISTIDINEA2Q970.84
HIC4-METHYL-HISTIDINEA1QZ60.84
HIC4-METHYL-HISTIDINEA3CHW0.84
HIC4-METHYL-HISTIDINEA,B2GWK0.84
HIC4-METHYL-HISTIDINEA,B,D,E1MDU0.84
HIC4-METHYL-HISTIDINEA2ASO0.84
HIC4-METHYL-HISTIDINEA,B2D1K0.84
HIC4-METHYL-HISTIDINEA,S1C0F0.84
HIC4-METHYL-HISTIDINEA,D1ATN0.84
HIC4-METHYL-HISTIDINEA,B2A420.84
HIC4-METHYL-HISTIDINEA,P2BTF0.84
HIC4-METHYL-HISTIDINEA,B1LOT0.84
HIC4-METHYL-HISTIDINEA1NWK0.84
HIC4-METHYL-HISTIDINEA,S1C0G0.84
HIC4-METHYL-HISTIDINEA,S1EQY0.84
HIC4-METHYL-HISTIDINEA2PAV0.84
HIC4-METHYL-HISTIDINEA2Q0U0.84
HIC4-METHYL-HISTIDINEA,B2HMP0.84
HIC4-METHYL-HISTIDINEA2PBD0.84
HIC4-METHYL-HISTIDINEA,S1DEJ0.84
HIC4-METHYL-HISTIDINEA,S1ESV0.84
HIC4-METHYL-HISTIDINEA1J6Z0.84
HIC4-METHYL-HISTIDINEA1WUA0.84
HIC4-METHYL-HISTIDINEA,B1YXQ0.84
HIC4-METHYL-HISTIDINEA1S220.84
HIC4-METHYL-HISTIDINEA,B,D,E2A400.84
HIC4-METHYL-HISTIDINEA1QZ50.84
HIC4-METHYL-HISTIDINEA2ZWH0.84
HIC4-METHYL-HISTIDINEA,B2A410.84
HIC4-METHYL-HISTIDINEB1MA90.84
HIC4-METHYL-HISTIDINEA,G3CI50.84
HIC4-METHYL-HISTIDINEA1Y640.84
HIC4-METHYL-HISTIDINEA,P1HLU0.84
HIC4-METHYL-HISTIDINEA,B2A3Z0.84
HIC4-METHYL-HISTIDINEA2FXU0.84
HIC4-METHYL-HISTIDINEA,G3CIP0.84
HIC4-METHYL-HISTIDINEA2GWJ0.84
HIC4-METHYL-HISTIDINEA,B2VCP0.84
3AH[HISTIDIN-1-YL-4H-[1,2,4]TRIAZOL-
5-YL]-AMINE
A,B,C,D1DGH0.78
GIRGIRODAZOLE0,1,3,9,A,B,
C,H,J,K,L,M,
N,O,Q,R,S,T,
U,Y,Z
2OTL0.78
XXY2-[(1R,2R)-1-amino-2-hydroxypropyl]-
1-(carboxymethyl)-4-(1H-imidazol-
5-ylmethyl)-1H-imidazol-5-olate
A2FWQ0.8
HAMHISTIDYL-ADENOSINE MONOPHOSPHATEA,B,C,D1ADY0.7
HAMHISTIDYL-ADENOSINE MONOPHOSPHATEA,B,C,D1KMM0.7
MH11-methyl-L-histidineA,B3G880.84
MH11-methyl-L-histidineA,B3G890.84
MH11-methyl-L-histidineA,B,C,D,E,F3G8A0.84
DHID-HISTIDINEP1MCB0.9
DHID-HISTIDINEA2EZ70.9
DHID-HISTIDINEP1MCN0.9
DHID-HISTIDINEA,D1CZQ0.9
DHID-HISTIDINEI1ER80.9
DHID-HISTIDINEP1MCL0.9
DHID-HISTIDINEA,B,C,D3BOG0.9
DHID-HISTIDINEA,L1ZEA0.9
RIGARGADINA,B1W9U0.72
RIGARGADINA1WAW0.72
HSAPHOSPHORIC ACID MONO-[2-AMINO-3-
(3H-IMIDAZOL-4-YL)-PROPYL]ESTER
A1GEX0.78
HSAPHOSPHORIC ACID MONO-[2-AMINO-3-
(3H-IMIDAZOL-4-YL)-PROPYL]ESTER
A,B,C,D1UU10.78
HSAPHOSPHORIC ACID MONO-[2-AMINO-3-
(3H-IMIDAZOL-4-YL)-PROPYL]ESTER
A1FG30.78
HRBN-ACETYL-1-[(2R,3S,5R)-5-HYDROXY-
2-PENTYLTETRAHYDROFURAN-3-YL]-L-
HISTIDINE
H,L2DDQ0.76
720(2S)-5-AMINO-2-[(1-PROPYL-1H-IMIDAZOL-
4-YL)METHYL]PENTANOIC ACID
A2JEW0.75
HIQ1-[1,2-DIHYDROXY-1-(HYDROXYMETHYL)ETHYL]-
L-HISTIDINE
A,B2IU40.86
CSH[2-(2-HYDROXY-1-METHYL-ETHYL)-4-
(1H-IMIDAZOL-4-YLMETHYL)-5-OXO-
IMIDAZOLIDIN-1-YL]-ACETIC ACID
A2EMN0.81
CSH[2-(2-HYDROXY-1-METHYL-ETHYL)-4-
(1H-IMIDAZOL-4-YLMETHYL)-5-OXO-
IMIDAZOLIDIN-1-YL]-ACETIC ACID
A1EMF0.81
CSH[2-(2-HYDROXY-1-METHYL-ETHYL)-4-
(1H-IMIDAZOL-4-YLMETHYL)-5-OXO-
IMIDAZOLIDIN-1-YL]-ACETIC ACID
A2EMD0.81
CSH[2-(2-HYDROXY-1-METHYL-ETHYL)-4-
(1H-IMIDAZOL-4-YLMETHYL)-5-OXO-
IMIDAZOLIDIN-1-YL]-ACETIC ACID
A2EMO0.81
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
IIC4-IMIDAZOLMETHYLENE-5-IMIDAZOLONE CHROMOPHOREA1BFP0.8
GI4METHYL ACETIC ACID-SUBSTITUTED GLUCOIMIDAZOLEA,B2J7G0.75
NEPN1-PHOSPHONOHISTIDINEA,B3FDZ0.82
NEPN1-PHOSPHONOHISTIDINEA,B,D,E2NU60.82
NEPN1-PHOSPHONOHISTIDINEA1E580.82
NEPN1-PHOSPHONOHISTIDINEA,B1TIP0.82
NEPN1-PHOSPHONOHISTIDINEA,B2QE60.82
NEPN1-PHOSPHONOHISTIDINEA,B,C1WVQ0.82
NEPN1-PHOSPHONOHISTIDINEA,B2HHJ0.82
NEPN1-PHOSPHONOHISTIDINEA,B,D,E,F,G,
H,I
2NU90.82
NEPN1-PHOSPHONOHISTIDINEA,B1EUD0.82
NEPN1-PHOSPHONOHISTIDINEA,D1SCU0.82
NEPN1-PHOSPHONOHISTIDINEA,B2FPP0.82
NEPN1-PHOSPHONOHISTIDINEA,B2HWG0.82
NEPN1-PHOSPHONOHISTIDINEA,B1VSQ0.82
NEPN1-PHOSPHONOHISTIDINEA,B2FPI0.82
NEPN1-PHOSPHONOHISTIDINEA1QWO0.82
NEPN1-PHOSPHONOHISTIDINEA,B,D,E2SCU0.82
NEPN1-PHOSPHONOHISTIDINEA,B2FP40.82
GI3CARBOXYLATE-SUBSTITUTED GLUCOIMIDAZOLEA,B2J7F0.72