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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03430220

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,B3ETS0.78
HS83-(1-sulfo-1H-imidazol-3-ium-4-
yl)-L-alanine
A,B3ETT0.78
DDE{3-[4-(2-AMINO-2-CARBOXY-ETHYL)-
1H-IMIDAZOL-2-YL]-1-CARBAMOYL-PROPYL}-
TRIMETHYL-AMMONIUM
T2P8Z0.78
DDE{3-[4-(2-AMINO-2-CARBOXY-ETHYL)-
1H-IMIDAZOL-2-YL]-1-CARBAMOYL-PROPYL}-
TRIMETHYL-AMMONIUM
T2P8Y0.78
DDE{3-[4-(2-AMINO-2-CARBOXY-ETHYL)-
1H-IMIDAZOL-2-YL]-1-CARBAMOYL-PROPYL}-
TRIMETHYL-AMMONIUM
A,B,C,D,E,F2ZIT0.78
DDE{3-[4-(2-AMINO-2-CARBOXY-ETHYL)-
1H-IMIDAZOL-2-YL]-1-CARBAMOYL-PROPYL}-
TRIMETHYL-AMMONIUM
A,C,E1ZM30.78
DDE{3-[4-(2-AMINO-2-CARBOXY-ETHYL)-
1H-IMIDAZOL-2-YL]-1-CARBAMOYL-PROPYL}-
TRIMETHYL-AMMONIUM
A1U2R0.78
DDE{3-[4-(2-AMINO-2-CARBOXY-ETHYL)-
1H-IMIDAZOL-2-YL]-1-CARBAMOYL-PROPYL}-
TRIMETHYL-AMMONIUM
A,B,C,D,E,F1ZM90.78
DDE{3-[4-(2-AMINO-2-CARBOXY-ETHYL)-
1H-IMIDAZOL-2-YL]-1-CARBAMOYL-PROPYL}-
TRIMETHYL-AMMONIUM
A,B,C,D,E,F3B780.78
DDE{3-[4-(2-AMINO-2-CARBOXY-ETHYL)-
1H-IMIDAZOL-2-YL]-1-CARBAMOYL-PROPYL}-
TRIMETHYL-AMMONIUM
A,B,C,D,E,F3B8H0.78
DDE{3-[4-(2-AMINO-2-CARBOXY-ETHYL)-
1H-IMIDAZOL-2-YL]-1-CARBAMOYL-PROPYL}-
TRIMETHYL-AMMONIUM
T2P8X0.78
DDE{3-[4-(2-AMINO-2-CARBOXY-ETHYL)-
1H-IMIDAZOL-2-YL]-1-CARBAMOYL-PROPYL}-
TRIMETHYL-AMMONIUM
A,B,C,D,E,F3B820.78
DDE{3-[4-(2-AMINO-2-CARBOXY-ETHYL)-
1H-IMIDAZOL-2-YL]-1-CARBAMOYL-PROPYL}-
TRIMETHYL-AMMONIUM
A,B,C,D,E,F1ZM40.78
DDE{3-[4-(2-AMINO-2-CARBOXY-ETHYL)-
1H-IMIDAZOL-2-YL]-1-CARBAMOYL-PROPYL}-
TRIMETHYL-AMMONIUM
A,C,E1ZM20.78
HSAPHOSPHORIC ACID MONO-[2-AMINO-3-
(3H-IMIDAZOL-4-YL)-PROPYL]ESTER
A1GEX0.71
HSAPHOSPHORIC ACID MONO-[2-AMINO-3-
(3H-IMIDAZOL-4-YL)-PROPYL]ESTER
A,B,C,D1UU10.71
HSAPHOSPHORIC ACID MONO-[2-AMINO-3-
(3H-IMIDAZOL-4-YL)-PROPYL]ESTER
A1FG30.71
HIPND1-PHOSPHONOHISTIDINEA,B,C,D,E,F2VME0.77
HIPND1-PHOSPHONOHISTIDINEA1NSP0.77
HIPND1-PHOSPHONOHISTIDINEA,B,C1NSQ0.77
HIPND1-PHOSPHONOHISTIDINEA1PFH0.77
HIPND1-PHOSPHONOHISTIDINEA1JEM0.77
CSH[2-(2-HYDROXY-1-METHYL-ETHYL)-4-
(1H-IMIDAZOL-4-YLMETHYL)-5-OXO-
IMIDAZOLIDIN-1-YL]-ACETIC ACID
A2EMN0.7
CSH[2-(2-HYDROXY-1-METHYL-ETHYL)-4-
(1H-IMIDAZOL-4-YLMETHYL)-5-OXO-
IMIDAZOLIDIN-1-YL]-ACETIC ACID
A1EMF0.7
CSH[2-(2-HYDROXY-1-METHYL-ETHYL)-4-
(1H-IMIDAZOL-4-YLMETHYL)-5-OXO-
IMIDAZOLIDIN-1-YL]-ACETIC ACID
A2EMD0.7
CSH[2-(2-HYDROXY-1-METHYL-ETHYL)-4-
(1H-IMIDAZOL-4-YLMETHYL)-5-OXO-
IMIDAZOLIDIN-1-YL]-ACETIC ACID
A2EMO0.7
HIAL-HISTIDINE AMIDEB1URL0.73
NEPN1-PHOSPHONOHISTIDINEA,B3FDZ0.74
NEPN1-PHOSPHONOHISTIDINEA,B,D,E2NU60.74
NEPN1-PHOSPHONOHISTIDINEA1E580.74
NEPN1-PHOSPHONOHISTIDINEA,B1TIP0.74
NEPN1-PHOSPHONOHISTIDINEA,B2QE60.74
NEPN1-PHOSPHONOHISTIDINEA,B,C1WVQ0.74
NEPN1-PHOSPHONOHISTIDINEA,B2HHJ0.74
NEPN1-PHOSPHONOHISTIDINEA,B,D,E,F,G,
H,I
2NU90.74
NEPN1-PHOSPHONOHISTIDINEA,B1EUD0.74
NEPN1-PHOSPHONOHISTIDINEA,D1SCU0.74
NEPN1-PHOSPHONOHISTIDINEA,B2FPP0.74
NEPN1-PHOSPHONOHISTIDINEA,B2HWG0.74
NEPN1-PHOSPHONOHISTIDINEA,B1VSQ0.74
NEPN1-PHOSPHONOHISTIDINEA,B2FPI0.74
NEPN1-PHOSPHONOHISTIDINEA1QWO0.74
NEPN1-PHOSPHONOHISTIDINEA,B,D,E2SCU0.74
NEPN1-PHOSPHONOHISTIDINEA,B2FP40.74
PVHHISTIDINE-METHYL-ESTERB,D,F1IBV0.85
PVHHISTIDINE-METHYL-ESTERB,D,F1IBW0.85
MH11-methyl-L-histidineA,B3G880.76
MH11-methyl-L-histidineA,B3G890.76
MH11-methyl-L-histidineA,B,C,D,E,F3G8A0.76
PSH1-thiophosphono-L-histidineA2R7C0.73
HSOHISTIDINOLA,B1H3J0.73
HSOHISTIDINOLA,B,C,D1KMN0.73
HSOHISTIDINOLA,B2FPU0.73
HSOHISTIDINOLA,B1KAE0.73
HSOHISTIDINOLN2BKD0.73
HIC4-METHYL-HISTIDINEA2Q970.76
HIC4-METHYL-HISTIDINEA1QZ60.76
HIC4-METHYL-HISTIDINEA3CHW0.76
HIC4-METHYL-HISTIDINEA,B2GWK0.76
HIC4-METHYL-HISTIDINEA,B,D,E1MDU0.76
HIC4-METHYL-HISTIDINEA2ASO0.76
HIC4-METHYL-HISTIDINEA,B2D1K0.76
HIC4-METHYL-HISTIDINEA,S1C0F0.76
HIC4-METHYL-HISTIDINEA,D1ATN0.76
HIC4-METHYL-HISTIDINEA,B2A420.76
HIC4-METHYL-HISTIDINEA,P2BTF0.76
HIC4-METHYL-HISTIDINEA,B1LOT0.76
HIC4-METHYL-HISTIDINEA1NWK0.76
HIC4-METHYL-HISTIDINEA,S1C0G0.76
HIC4-METHYL-HISTIDINEA,S1EQY0.76
HIC4-METHYL-HISTIDINEA2PAV0.76
HIC4-METHYL-HISTIDINEA2Q0U0.76
HIC4-METHYL-HISTIDINEA,B2HMP0.76
HIC4-METHYL-HISTIDINEA2PBD0.76
HIC4-METHYL-HISTIDINEA,S1DEJ0.76
HIC4-METHYL-HISTIDINEA,S1ESV0.76
HIC4-METHYL-HISTIDINEA1J6Z0.76
HIC4-METHYL-HISTIDINEA1WUA0.76
HIC4-METHYL-HISTIDINEA,B1YXQ0.76
HIC4-METHYL-HISTIDINEA1S220.76
HIC4-METHYL-HISTIDINEA,B,D,E2A400.76
HIC4-METHYL-HISTIDINEA1QZ50.76
HIC4-METHYL-HISTIDINEA2ZWH0.76
HIC4-METHYL-HISTIDINEA,B2A410.76
HIC4-METHYL-HISTIDINEB1MA90.76
HIC4-METHYL-HISTIDINEA,G3CI50.76
HIC4-METHYL-HISTIDINEA1Y640.76
HIC4-METHYL-HISTIDINEA,P1HLU0.76
HIC4-METHYL-HISTIDINEA,B2A3Z0.76
HIC4-METHYL-HISTIDINEA2FXU0.76
HIC4-METHYL-HISTIDINEA,G3CIP0.76
HIC4-METHYL-HISTIDINEA2GWJ0.76
HIC4-METHYL-HISTIDINEA,B2VCP0.76
DHID-HISTIDINEP1MCB0.8
DHID-HISTIDINEA2EZ70.8
DHID-HISTIDINEP1MCN0.8
DHID-HISTIDINEA,D1CZQ0.8
DHID-HISTIDINEI1ER80.8
DHID-HISTIDINEP1MCL0.8
DHID-HISTIDINEA,B,C,D3BOG0.8
DHID-HISTIDINEA,L1ZEA0.8
BDHL-BETA-ASPARTYLHISTIDINEA,B1YBQ0.75
MHSN1-METHYLATED HISTIDINEA,B,C,D,E,F1HBO0.76
MHSN1-METHYLATED HISTIDINEA,C,D,F1MRO0.76
MHSN1-METHYLATED HISTIDINEA,C,D,F1E6Y0.76
MHSN1-METHYLATED HISTIDINEA,B,C,D,E,F1HBM0.76
MHSN1-METHYLATED HISTIDINEA,B,C,D,E,F1HBN0.76
MHSN1-METHYLATED HISTIDINEA,B,C,D,E,F1HBU0.76
HIQ1-[1,2-DIHYDROXY-1-(HYDROXYMETHYL)ETHYL]-
L-HISTIDINE
A,B2IU40.72