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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02322784

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
CSH[2-(2-HYDROXY-1-METHYL-ETHYL)-4-
(1H-IMIDAZOL-4-YLMETHYL)-5-OXO-
IMIDAZOLIDIN-1-YL]-ACETIC ACID
A2EMN0.73
CSH[2-(2-HYDROXY-1-METHYL-ETHYL)-4-
(1H-IMIDAZOL-4-YLMETHYL)-5-OXO-
IMIDAZOLIDIN-1-YL]-ACETIC ACID
A1EMF0.73
CSH[2-(2-HYDROXY-1-METHYL-ETHYL)-4-
(1H-IMIDAZOL-4-YLMETHYL)-5-OXO-
IMIDAZOLIDIN-1-YL]-ACETIC ACID
A2EMD0.73
CSH[2-(2-HYDROXY-1-METHYL-ETHYL)-4-
(1H-IMIDAZOL-4-YLMETHYL)-5-OXO-
IMIDAZOLIDIN-1-YL]-ACETIC ACID
A2EMO0.73
MH11-methyl-L-histidineA,B3G880.82
MH11-methyl-L-histidineA,B3G890.82
MH11-methyl-L-histidineA,B,C,D,E,F3G8A0.82
3AH[HISTIDIN-1-YL-4H-[1,2,4]TRIAZOL-
5-YL]-AMINE
A,B,C,D1DGH0.76
HIAL-HISTIDINE AMIDEB1URL0.77
RIGARGADINA,B1W9U0.71
RIGARGADINA1WAW0.71
HSOHISTIDINOLA,B1H3J0.76
HSOHISTIDINOLA,B,C,D1KMN0.76
HSOHISTIDINOLA,B2FPU0.76
HSOHISTIDINOLA,B1KAE0.76
HSOHISTIDINOLN2BKD0.76
720(2S)-5-AMINO-2-[(1-PROPYL-1H-IMIDAZOL-
4-YL)METHYL]PENTANOIC ACID
A2JEW0.79
IIC4-IMIDAZOLMETHYLENE-5-IMIDAZOLONE CHROMOPHOREA1BFP0.74
HS83-(1-sulfo-1H-imidazol-3-ium-4-
yl)-L-alanine
A,B3ETS0.84
HS83-(1-sulfo-1H-imidazol-3-ium-4-
yl)-L-alanine
A,B3ETT0.84
PSH1-thiophosphono-L-histidineA2R7C0.79
BDHL-BETA-ASPARTYLHISTIDINEA,B1YBQ0.8
MHSN1-METHYLATED HISTIDINEA,B,C,D,E,F1HBO0.82
MHSN1-METHYLATED HISTIDINEA,C,D,F1MRO0.82
MHSN1-METHYLATED HISTIDINEA,C,D,F1E6Y0.82
MHSN1-METHYLATED HISTIDINEA,B,C,D,E,F1HBM0.82
MHSN1-METHYLATED HISTIDINEA,B,C,D,E,F1HBN0.82
MHSN1-METHYLATED HISTIDINEA,B,C,D,E,F1HBU0.82
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
GIRGIRODAZOLE0,1,3,9,A,B,
C,H,J,K,L,M,
N,O,Q,R,S,T,
U,Y,Z
2OTL0.77
NEPN1-PHOSPHONOHISTIDINEA,B3FDZ0.8
NEPN1-PHOSPHONOHISTIDINEA,B,D,E2NU60.8
NEPN1-PHOSPHONOHISTIDINEA1E580.8
NEPN1-PHOSPHONOHISTIDINEA,B1TIP0.8
NEPN1-PHOSPHONOHISTIDINEA,B2QE60.8
NEPN1-PHOSPHONOHISTIDINEA,B,C1WVQ0.8
NEPN1-PHOSPHONOHISTIDINEA,B2HHJ0.8
NEPN1-PHOSPHONOHISTIDINEA,B,D,E,F,G,
H,I
2NU90.8
NEPN1-PHOSPHONOHISTIDINEA,B1EUD0.8
NEPN1-PHOSPHONOHISTIDINEA,D1SCU0.8
NEPN1-PHOSPHONOHISTIDINEA,B2FPP0.8
NEPN1-PHOSPHONOHISTIDINEA,B2HWG0.8
NEPN1-PHOSPHONOHISTIDINEA,B1VSQ0.8
NEPN1-PHOSPHONOHISTIDINEA,B2FPI0.8
NEPN1-PHOSPHONOHISTIDINEA1QWO0.8
NEPN1-PHOSPHONOHISTIDINEA,B,D,E2SCU0.8
NEPN1-PHOSPHONOHISTIDINEA,B2FP40.8
HSAPHOSPHORIC ACID MONO-[2-AMINO-3-
(3H-IMIDAZOL-4-YL)-PROPYL]ESTER
A1GEX0.74
HSAPHOSPHORIC ACID MONO-[2-AMINO-3-
(3H-IMIDAZOL-4-YL)-PROPYL]ESTER
A,B,C,D1UU10.74
HSAPHOSPHORIC ACID MONO-[2-AMINO-3-
(3H-IMIDAZOL-4-YL)-PROPYL]ESTER
A1FG30.74
PVHHISTIDINE-METHYL-ESTERB,D,F1IBV0.83
PVHHISTIDINE-METHYL-ESTERB,D,F1IBW0.83
HIC4-METHYL-HISTIDINEA2Q970.82
HIC4-METHYL-HISTIDINEA1QZ60.82
HIC4-METHYL-HISTIDINEA3CHW0.82
HIC4-METHYL-HISTIDINEA,B2GWK0.82
HIC4-METHYL-HISTIDINEA,B,D,E1MDU0.82
HIC4-METHYL-HISTIDINEA2ASO0.82
HIC4-METHYL-HISTIDINEA,B2D1K0.82
HIC4-METHYL-HISTIDINEA,S1C0F0.82
HIC4-METHYL-HISTIDINEA,D1ATN0.82
HIC4-METHYL-HISTIDINEA,B2A420.82
HIC4-METHYL-HISTIDINEA,P2BTF0.82
HIC4-METHYL-HISTIDINEA,B1LOT0.82
HIC4-METHYL-HISTIDINEA1NWK0.82
HIC4-METHYL-HISTIDINEA,S1C0G0.82
HIC4-METHYL-HISTIDINEA,S1EQY0.82
HIC4-METHYL-HISTIDINEA2PAV0.82
HIC4-METHYL-HISTIDINEA2Q0U0.82
HIC4-METHYL-HISTIDINEA,B2HMP0.82
HIC4-METHYL-HISTIDINEA2PBD0.82
HIC4-METHYL-HISTIDINEA,S1DEJ0.82
HIC4-METHYL-HISTIDINEA,S1ESV0.82
HIC4-METHYL-HISTIDINEA1J6Z0.82
HIC4-METHYL-HISTIDINEA1WUA0.82
HIC4-METHYL-HISTIDINEA,B1YXQ0.82
HIC4-METHYL-HISTIDINEA1S220.82
HIC4-METHYL-HISTIDINEA,B,D,E2A400.82
HIC4-METHYL-HISTIDINEA1QZ50.82
HIC4-METHYL-HISTIDINEA2ZWH0.82
HIC4-METHYL-HISTIDINEA,B2A410.82
HIC4-METHYL-HISTIDINEB1MA90.82
HIC4-METHYL-HISTIDINEA,G3CI50.82
HIC4-METHYL-HISTIDINEA1Y640.82
HIC4-METHYL-HISTIDINEA,P1HLU0.82
HIC4-METHYL-HISTIDINEA,B2A3Z0.82
HIC4-METHYL-HISTIDINEA2FXU0.82
HIC4-METHYL-HISTIDINEA,G3CIP0.82
HIC4-METHYL-HISTIDINEA2GWJ0.82
HIC4-METHYL-HISTIDINEA,B2VCP0.82
DHID-HISTIDINEP1MCB0.88
DHID-HISTIDINEA2EZ70.88
DHID-HISTIDINEP1MCN0.88
DHID-HISTIDINEA,D1CZQ0.88
DHID-HISTIDINEI1ER80.88
DHID-HISTIDINEP1MCL0.88
DHID-HISTIDINEA,B,C,D3BOG0.88
DHID-HISTIDINEA,L1ZEA0.88
HIPND1-PHOSPHONOHISTIDINEA,B,C,D,E,F2VME0.83
HIPND1-PHOSPHONOHISTIDINEA1NSP0.83
HIPND1-PHOSPHONOHISTIDINEA,B,C1NSQ0.83
HIPND1-PHOSPHONOHISTIDINEA1PFH0.83
HIPND1-PHOSPHONOHISTIDINEA1JEM0.83
HIQ1-[1,2-DIHYDROXY-1-(HYDROXYMETHYL)ETHYL]-
L-HISTIDINE
A,B2IU40.77