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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03204440

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
IIC4-IMIDAZOLMETHYLENE-5-IMIDAZOLONE CHROMOPHOREA1BFP0.78
NEPN1-PHOSPHONOHISTIDINEA,B3FDZ0.72
NEPN1-PHOSPHONOHISTIDINEA,B,D,E2NU60.72
NEPN1-PHOSPHONOHISTIDINEA1E580.72
NEPN1-PHOSPHONOHISTIDINEA,B1TIP0.72
NEPN1-PHOSPHONOHISTIDINEA,B2QE60.72
NEPN1-PHOSPHONOHISTIDINEA,B,C1WVQ0.72
NEPN1-PHOSPHONOHISTIDINEA,B2HHJ0.72
NEPN1-PHOSPHONOHISTIDINEA,B,D,E,F,G,
H,I
2NU90.72
NEPN1-PHOSPHONOHISTIDINEA,B1EUD0.72
NEPN1-PHOSPHONOHISTIDINEA,D1SCU0.72
NEPN1-PHOSPHONOHISTIDINEA,B2FPP0.72
NEPN1-PHOSPHONOHISTIDINEA,B2HWG0.72
NEPN1-PHOSPHONOHISTIDINEA,B1VSQ0.72
NEPN1-PHOSPHONOHISTIDINEA,B2FPI0.72
NEPN1-PHOSPHONOHISTIDINEA1QWO0.72
NEPN1-PHOSPHONOHISTIDINEA,B,D,E2SCU0.72
NEPN1-PHOSPHONOHISTIDINEA,B2FP40.72
HIC4-METHYL-HISTIDINEA2Q970.77
HIC4-METHYL-HISTIDINEA1QZ60.77
HIC4-METHYL-HISTIDINEA3CHW0.77
HIC4-METHYL-HISTIDINEA,B2GWK0.77
HIC4-METHYL-HISTIDINEA,B,D,E1MDU0.77
HIC4-METHYL-HISTIDINEA2ASO0.77
HIC4-METHYL-HISTIDINEA,B2D1K0.77
HIC4-METHYL-HISTIDINEA,S1C0F0.77
HIC4-METHYL-HISTIDINEA,D1ATN0.77
HIC4-METHYL-HISTIDINEA,B2A420.77
HIC4-METHYL-HISTIDINEA,P2BTF0.77
HIC4-METHYL-HISTIDINEA,B1LOT0.77
HIC4-METHYL-HISTIDINEA1NWK0.77
HIC4-METHYL-HISTIDINEA,S1C0G0.77
HIC4-METHYL-HISTIDINEA,S1EQY0.77
HIC4-METHYL-HISTIDINEA2PAV0.77
HIC4-METHYL-HISTIDINEA2Q0U0.77
HIC4-METHYL-HISTIDINEA,B2HMP0.77
HIC4-METHYL-HISTIDINEA2PBD0.77
HIC4-METHYL-HISTIDINEA,S1DEJ0.77
HIC4-METHYL-HISTIDINEA,S1ESV0.77
HIC4-METHYL-HISTIDINEA1J6Z0.77
HIC4-METHYL-HISTIDINEA1WUA0.77
HIC4-METHYL-HISTIDINEA,B1YXQ0.77
HIC4-METHYL-HISTIDINEA1S220.77
HIC4-METHYL-HISTIDINEA,B,D,E2A400.77
HIC4-METHYL-HISTIDINEA1QZ50.77
HIC4-METHYL-HISTIDINEA2ZWH0.77
HIC4-METHYL-HISTIDINEA,B2A410.77
HIC4-METHYL-HISTIDINEB1MA90.77
HIC4-METHYL-HISTIDINEA,G3CI50.77
HIC4-METHYL-HISTIDINEA1Y640.77
HIC4-METHYL-HISTIDINEA,P1HLU0.77
HIC4-METHYL-HISTIDINEA,B2A3Z0.77
HIC4-METHYL-HISTIDINEA2FXU0.77
HIC4-METHYL-HISTIDINEA,G3CIP0.77
HIC4-METHYL-HISTIDINEA2GWJ0.77
HIC4-METHYL-HISTIDINEA,B2VCP0.77
DHID-HISTIDINEP1MCB0.73
DHID-HISTIDINEA2EZ70.73
DHID-HISTIDINEP1MCN0.73
DHID-HISTIDINEA,D1CZQ0.73
DHID-HISTIDINEI1ER80.73
DHID-HISTIDINEP1MCL0.73
DHID-HISTIDINEA,B,C,D3BOG0.73
DHID-HISTIDINEA,L1ZEA0.73
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
MHSN1-METHYLATED HISTIDINEA,B,C,D,E,F1HBO0.77
MHSN1-METHYLATED HISTIDINEA,C,D,F1MRO0.77
MHSN1-METHYLATED HISTIDINEA,C,D,F1E6Y0.77
MHSN1-METHYLATED HISTIDINEA,B,C,D,E,F1HBM0.77
MHSN1-METHYLATED HISTIDINEA,B,C,D,E,F1HBN0.77
MHSN1-METHYLATED HISTIDINEA,B,C,D,E,F1HBU0.77
PVHHISTIDINE-METHYL-ESTERB,D,F1IBV0.74
PVHHISTIDINE-METHYL-ESTERB,D,F1IBW0.74
RIGARGADINA,B1W9U0.82
RIGARGADINA1WAW0.82
HRBN-ACETYL-1-[(2R,3S,5R)-5-HYDROXY-
2-PENTYLTETRAHYDROFURAN-3-YL]-L-
HISTIDINE
H,L2DDQ0.75
HS83-(1-sulfo-1H-imidazol-3-ium-4-
yl)-L-alanine
A,B3ETS0.71
HS83-(1-sulfo-1H-imidazol-3-ium-4-
yl)-L-alanine
A,B3ETT0.71
PF22-(4-{(3S,5S)-5-[(3,3-difluoropyrrolidin-
1-yl)carbonyl]pyrrolidin-3-yl}piperazin-
1-yl)pyrimidine
A,B3F8S0.7
AHNN-[2-(1H-IMIDAZOL-4-YL)ETHYL]ACETAMIDEA,B2AFW0.75
BDHL-BETA-ASPARTYLHISTIDINEA,B1YBQ0.77
HIPND1-PHOSPHONOHISTIDINEA,B,C,D,E,F2VME0.71
HIPND1-PHOSPHONOHISTIDINEA1NSP0.71
HIPND1-PHOSPHONOHISTIDINEA,B,C1NSQ0.71
HIPND1-PHOSPHONOHISTIDINEA1PFH0.71
HIPND1-PHOSPHONOHISTIDINEA1JEM0.71
ILTMONOIMIDAZOLE LEXITROPSINA1LEY0.7
ILTMONOIMIDAZOLE LEXITROPSINB1LEX0.7
CSH[2-(2-HYDROXY-1-METHYL-ETHYL)-4-
(1H-IMIDAZOL-4-YLMETHYL)-5-OXO-
IMIDAZOLIDIN-1-YL]-ACETIC ACID
A2EMN0.82
CSH[2-(2-HYDROXY-1-METHYL-ETHYL)-4-
(1H-IMIDAZOL-4-YLMETHYL)-5-OXO-
IMIDAZOLIDIN-1-YL]-ACETIC ACID
A1EMF0.82
CSH[2-(2-HYDROXY-1-METHYL-ETHYL)-4-
(1H-IMIDAZOL-4-YLMETHYL)-5-OXO-
IMIDAZOLIDIN-1-YL]-ACETIC ACID
A2EMD0.82
CSH[2-(2-HYDROXY-1-METHYL-ETHYL)-4-
(1H-IMIDAZOL-4-YLMETHYL)-5-OXO-
IMIDAZOLIDIN-1-YL]-ACETIC ACID
A2EMO0.82
720(2S)-5-AMINO-2-[(1-PROPYL-1H-IMIDAZOL-
4-YL)METHYL]PENTANOIC ACID
A2JEW0.73
NZH(2S)-2-AMINO-3-[1-(1H-TETRAAZOL-
5-YL)-1H-IMIDAZOL-4-YL]PROPANAL
A1WVP0.78
HIQ1-[1,2-DIHYDROXY-1-(HYDROXYMETHYL)ETHYL]-
L-HISTIDINE
A,B2IU40.74
MH11-methyl-L-histidineA,B3G880.77
MH11-methyl-L-histidineA,B3G890.77
MH11-methyl-L-histidineA,B,C,D,E,F3G8A0.77
HIAL-HISTIDINE AMIDEB1URL0.82
CHQCYCLO-(L-HISTIDINE-L-PROLINE) INHIBITORA,B1W1T0.86
PSH1-thiophosphono-L-histidineA2R7C0.72
3AH[HISTIDIN-1-YL-4H-[1,2,4]TRIAZOL-
5-YL]-AMINE
A,B,C,D1DGH0.74
HSOHISTIDINOLA,B1H3J0.77
HSOHISTIDINOLA,B,C,D1KMN0.77
HSOHISTIDINOLA,B2FPU0.77
HSOHISTIDINOLA,B1KAE0.77
HSOHISTIDINOLN2BKD0.77