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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01746277

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
BDHL-BETA-ASPARTYLHISTIDINEA,B1YBQ0.79
AHNN-[2-(1H-IMIDAZOL-4-YL)ETHYL]ACETAMIDEA,B2AFW0.8
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
NZH(2S)-2-AMINO-3-[1-(1H-TETRAAZOL-
5-YL)-1H-IMIDAZOL-4-YL]PROPANAL
A1WVP0.81
CSH[2-(2-HYDROXY-1-METHYL-ETHYL)-4-
(1H-IMIDAZOL-4-YLMETHYL)-5-OXO-
IMIDAZOLIDIN-1-YL]-ACETIC ACID
A2EMN0.84
CSH[2-(2-HYDROXY-1-METHYL-ETHYL)-4-
(1H-IMIDAZOL-4-YLMETHYL)-5-OXO-
IMIDAZOLIDIN-1-YL]-ACETIC ACID
A1EMF0.84
CSH[2-(2-HYDROXY-1-METHYL-ETHYL)-4-
(1H-IMIDAZOL-4-YLMETHYL)-5-OXO-
IMIDAZOLIDIN-1-YL]-ACETIC ACID
A2EMD0.84
CSH[2-(2-HYDROXY-1-METHYL-ETHYL)-4-
(1H-IMIDAZOL-4-YLMETHYL)-5-OXO-
IMIDAZOLIDIN-1-YL]-ACETIC ACID
A2EMO0.84
HIQ1-[1,2-DIHYDROXY-1-(HYDROXYMETHYL)ETHYL]-
L-HISTIDINE
A,B2IU40.71
XXY2-[(1R,2R)-1-amino-2-hydroxypropyl]-
1-(carboxymethyl)-4-(1H-imidazol-
5-ylmethyl)-1H-imidazol-5-olate
A2FWQ0.7
HIPND1-PHOSPHONOHISTIDINEA,B,C,D,E,F2VME0.75
HIPND1-PHOSPHONOHISTIDINEA1NSP0.75
HIPND1-PHOSPHONOHISTIDINEA,B,C1NSQ0.75
HIPND1-PHOSPHONOHISTIDINEA1PFH0.75
HIPND1-PHOSPHONOHISTIDINEA1JEM0.75
DHID-HISTIDINEP1MCB0.78
DHID-HISTIDINEA2EZ70.78
DHID-HISTIDINEP1MCN0.78
DHID-HISTIDINEA,D1CZQ0.78
DHID-HISTIDINEI1ER80.78
DHID-HISTIDINEP1MCL0.78
DHID-HISTIDINEA,B,C,D3BOG0.78
DHID-HISTIDINEA,L1ZEA0.78
MH11-methyl-L-histidineA,B3G880.76
MH11-methyl-L-histidineA,B3G890.76
MH11-methyl-L-histidineA,B,C,D,E,F3G8A0.76
IIC4-IMIDAZOLMETHYLENE-5-IMIDAZOLONE CHROMOPHOREA1BFP0.81
CHQCYCLO-(L-HISTIDINE-L-PROLINE) INHIBITORA,B1W1T0.89
HS83-(1-sulfo-1H-imidazol-3-ium-4-
yl)-L-alanine
A,B3ETS0.76
HS83-(1-sulfo-1H-imidazol-3-ium-4-
yl)-L-alanine
A,B3ETT0.76
PVHHISTIDINE-METHYL-ESTERB,D,F1IBV0.79
PVHHISTIDINE-METHYL-ESTERB,D,F1IBW0.79
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
NEPN1-PHOSPHONOHISTIDINEA,B3FDZ0.71
NEPN1-PHOSPHONOHISTIDINEA,B,D,E2NU60.71
NEPN1-PHOSPHONOHISTIDINEA1E580.71
NEPN1-PHOSPHONOHISTIDINEA,B1TIP0.71
NEPN1-PHOSPHONOHISTIDINEA,B2QE60.71
NEPN1-PHOSPHONOHISTIDINEA,B,C1WVQ0.71
NEPN1-PHOSPHONOHISTIDINEA,B2HHJ0.71
NEPN1-PHOSPHONOHISTIDINEA,B,D,E,F,G,
H,I
2NU90.71
NEPN1-PHOSPHONOHISTIDINEA,B1EUD0.71
NEPN1-PHOSPHONOHISTIDINEA,D1SCU0.71
NEPN1-PHOSPHONOHISTIDINEA,B2FPP0.71
NEPN1-PHOSPHONOHISTIDINEA,B2HWG0.71
NEPN1-PHOSPHONOHISTIDINEA,B1VSQ0.71
NEPN1-PHOSPHONOHISTIDINEA,B2FPI0.71
NEPN1-PHOSPHONOHISTIDINEA1QWO0.71
NEPN1-PHOSPHONOHISTIDINEA,B,D,E2SCU0.71
NEPN1-PHOSPHONOHISTIDINEA,B2FP40.71
RIGARGADINA,B1W9U0.78
RIGARGADINA1WAW0.78
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
HSOHISTIDINOLA,B1H3J0.84
HSOHISTIDINOLA,B,C,D1KMN0.84
HSOHISTIDINOLA,B2FPU0.84
HSOHISTIDINOLA,B1KAE0.84
HSOHISTIDINOLN2BKD0.84
HSMHISTAMINEA,B1U180.74
HSMHISTAMINEA1AVN0.74
HSMHISTAMINEA,B1KAR0.74
HSMHISTAMINEA,B1NP10.74
HSMHISTAMINEA,B1JQD0.74
HSMHISTAMINEA,B2QEB0.74
HSMHISTAMINEA,B1QFV0.74
HSMHISTAMINEA1IKE0.74
HSMHISTAMINEA3BU10.74
HSMHISTAMINEA,B1QFT0.74
3AH[HISTIDIN-1-YL-4H-[1,2,4]TRIAZOL-
5-YL]-AMINE
A,B,C,D1DGH0.75
HIAL-HISTIDINE AMIDEB1URL0.9
PSH1-thiophosphono-L-histidineA2R7C0.72
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