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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03079117

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
NEPN1-PHOSPHONOHISTIDINEA,B3FDZ0.78
NEPN1-PHOSPHONOHISTIDINEA,B,D,E2NU60.78
NEPN1-PHOSPHONOHISTIDINEA1E580.78
NEPN1-PHOSPHONOHISTIDINEA,B1TIP0.78
NEPN1-PHOSPHONOHISTIDINEA,B2QE60.78
NEPN1-PHOSPHONOHISTIDINEA,B,C1WVQ0.78
NEPN1-PHOSPHONOHISTIDINEA,B2HHJ0.78
NEPN1-PHOSPHONOHISTIDINEA,B,D,E,F,G,
H,I
2NU90.78
NEPN1-PHOSPHONOHISTIDINEA,B1EUD0.78
NEPN1-PHOSPHONOHISTIDINEA,D1SCU0.78
NEPN1-PHOSPHONOHISTIDINEA,B2FPP0.78
NEPN1-PHOSPHONOHISTIDINEA,B2HWG0.78
NEPN1-PHOSPHONOHISTIDINEA,B1VSQ0.78
NEPN1-PHOSPHONOHISTIDINEA,B2FPI0.78
NEPN1-PHOSPHONOHISTIDINEA1QWO0.78
NEPN1-PHOSPHONOHISTIDINEA,B,D,E2SCU0.78
NEPN1-PHOSPHONOHISTIDINEA,B2FP40.78
IIC4-IMIDAZOLMETHYLENE-5-IMIDAZOLONE CHROMOPHOREA1BFP0.78
MH11-methyl-L-histidineA,B3G880.8
MH11-methyl-L-histidineA,B3G890.8
MH11-methyl-L-histidineA,B,C,D,E,F3G8A0.8
NZH(2S)-2-AMINO-3-[1-(1H-TETRAAZOL-
5-YL)-1H-IMIDAZOL-4-YL]PROPANAL
A1WVP0.87
CHQCYCLO-(L-HISTIDINE-L-PROLINE) INHIBITORA,B1W1T0.83
HSMHISTAMINEA,B1U180.82
HSMHISTAMINEA1AVN0.82
HSMHISTAMINEA,B1KAR0.82
HSMHISTAMINEA,B1NP10.82
HSMHISTAMINEA,B1JQD0.82
HSMHISTAMINEA,B2QEB0.82
HSMHISTAMINEA,B1QFV0.82
HSMHISTAMINEA1IKE0.82
HSMHISTAMINEA3BU10.82
HSMHISTAMINEA,B1QFT0.82
AHNN-[2-(1H-IMIDAZOL-4-YL)ETHYL]ACETAMIDEA,B2AFW0.82
HSAPHOSPHORIC ACID MONO-[2-AMINO-3-
(3H-IMIDAZOL-4-YL)-PROPYL]ESTER
A1GEX0.8
HSAPHOSPHORIC ACID MONO-[2-AMINO-3-
(3H-IMIDAZOL-4-YL)-PROPYL]ESTER
A,B,C,D1UU10.8
HSAPHOSPHORIC ACID MONO-[2-AMINO-3-
(3H-IMIDAZOL-4-YL)-PROPYL]ESTER
A1FG30.8
DHID-HISTIDINEP1MCB0.86
DHID-HISTIDINEA2EZ70.86
DHID-HISTIDINEP1MCN0.86
DHID-HISTIDINEA,D1CZQ0.86
DHID-HISTIDINEI1ER80.86
DHID-HISTIDINEP1MCL0.86
DHID-HISTIDINEA,B,C,D3BOG0.86
DHID-HISTIDINEA,L1ZEA0.86
HIAL-HISTIDINE AMIDEB1URL0.94
HIPND1-PHOSPHONOHISTIDINEA,B,C,D,E,F2VME0.81
HIPND1-PHOSPHONOHISTIDINEA1NSP0.81
HIPND1-PHOSPHONOHISTIDINEA,B,C1NSQ0.81
HIPND1-PHOSPHONOHISTIDINEA1PFH0.81
HIPND1-PHOSPHONOHISTIDINEA1JEM0.81
DDE{3-[4-(2-AMINO-2-CARBOXY-ETHYL)-
1H-IMIDAZOL-2-YL]-1-CARBAMOYL-PROPYL}-
TRIMETHYL-AMMONIUM
T2P8Z0.79
DDE{3-[4-(2-AMINO-2-CARBOXY-ETHYL)-
1H-IMIDAZOL-2-YL]-1-CARBAMOYL-PROPYL}-
TRIMETHYL-AMMONIUM
T2P8Y0.79
DDE{3-[4-(2-AMINO-2-CARBOXY-ETHYL)-
1H-IMIDAZOL-2-YL]-1-CARBAMOYL-PROPYL}-
TRIMETHYL-AMMONIUM
A,B,C,D,E,F2ZIT0.79
DDE{3-[4-(2-AMINO-2-CARBOXY-ETHYL)-
1H-IMIDAZOL-2-YL]-1-CARBAMOYL-PROPYL}-
TRIMETHYL-AMMONIUM
A,C,E1ZM30.79
DDE{3-[4-(2-AMINO-2-CARBOXY-ETHYL)-
1H-IMIDAZOL-2-YL]-1-CARBAMOYL-PROPYL}-
TRIMETHYL-AMMONIUM
A1U2R0.79
DDE{3-[4-(2-AMINO-2-CARBOXY-ETHYL)-
1H-IMIDAZOL-2-YL]-1-CARBAMOYL-PROPYL}-
TRIMETHYL-AMMONIUM
A,B,C,D,E,F1ZM90.79
DDE{3-[4-(2-AMINO-2-CARBOXY-ETHYL)-
1H-IMIDAZOL-2-YL]-1-CARBAMOYL-PROPYL}-
TRIMETHYL-AMMONIUM
A,B,C,D,E,F3B780.79
DDE{3-[4-(2-AMINO-2-CARBOXY-ETHYL)-
1H-IMIDAZOL-2-YL]-1-CARBAMOYL-PROPYL}-
TRIMETHYL-AMMONIUM
A,B,C,D,E,F3B8H0.79
DDE{3-[4-(2-AMINO-2-CARBOXY-ETHYL)-
1H-IMIDAZOL-2-YL]-1-CARBAMOYL-PROPYL}-
TRIMETHYL-AMMONIUM
T2P8X0.79
DDE{3-[4-(2-AMINO-2-CARBOXY-ETHYL)-
1H-IMIDAZOL-2-YL]-1-CARBAMOYL-PROPYL}-
TRIMETHYL-AMMONIUM
A,B,C,D,E,F3B820.79
DDE{3-[4-(2-AMINO-2-CARBOXY-ETHYL)-
1H-IMIDAZOL-2-YL]-1-CARBAMOYL-PROPYL}-
TRIMETHYL-AMMONIUM
A,B,C,D,E,F1ZM40.79
DDE{3-[4-(2-AMINO-2-CARBOXY-ETHYL)-
1H-IMIDAZOL-2-YL]-1-CARBAMOYL-PROPYL}-
TRIMETHYL-AMMONIUM
A,C,E1ZM20.79
MHSN1-METHYLATED HISTIDINEA,B,C,D,E,F1HBO0.8
MHSN1-METHYLATED HISTIDINEA,C,D,F1MRO0.8
MHSN1-METHYLATED HISTIDINEA,C,D,F1E6Y0.8
MHSN1-METHYLATED HISTIDINEA,B,C,D,E,F1HBM0.8
MHSN1-METHYLATED HISTIDINEA,B,C,D,E,F1HBN0.8
MHSN1-METHYLATED HISTIDINEA,B,C,D,E,F1HBU0.8
BDHL-BETA-ASPARTYLHISTIDINEA,B1YBQ0.78
PVHHISTIDINE-METHYL-ESTERB,D,F1IBV0.87
PVHHISTIDINE-METHYL-ESTERB,D,F1IBW0.87
720(2S)-5-AMINO-2-[(1-PROPYL-1H-IMIDAZOL-
4-YL)METHYL]PENTANOIC ACID
A2JEW0.72
HIC4-METHYL-HISTIDINEA2Q970.8
HIC4-METHYL-HISTIDINEA1QZ60.8
HIC4-METHYL-HISTIDINEA3CHW0.8
HIC4-METHYL-HISTIDINEA,B2GWK0.8
HIC4-METHYL-HISTIDINEA,B,D,E1MDU0.8
HIC4-METHYL-HISTIDINEA2ASO0.8
HIC4-METHYL-HISTIDINEA,B2D1K0.8
HIC4-METHYL-HISTIDINEA,S1C0F0.8
HIC4-METHYL-HISTIDINEA,D1ATN0.8
HIC4-METHYL-HISTIDINEA,B2A420.8
HIC4-METHYL-HISTIDINEA,P2BTF0.8
HIC4-METHYL-HISTIDINEA,B1LOT0.8
HIC4-METHYL-HISTIDINEA1NWK0.8
HIC4-METHYL-HISTIDINEA,S1C0G0.8
HIC4-METHYL-HISTIDINEA,S1EQY0.8
HIC4-METHYL-HISTIDINEA2PAV0.8
HIC4-METHYL-HISTIDINEA2Q0U0.8
HIC4-METHYL-HISTIDINEA,B2HMP0.8
HIC4-METHYL-HISTIDINEA2PBD0.8
HIC4-METHYL-HISTIDINEA,S1DEJ0.8
HIC4-METHYL-HISTIDINEA,S1ESV0.8
HIC4-METHYL-HISTIDINEA1J6Z0.8
HIC4-METHYL-HISTIDINEA1WUA0.8
HIC4-METHYL-HISTIDINEA,B1YXQ0.8
HIC4-METHYL-HISTIDINEA1S220.8
HIC4-METHYL-HISTIDINEA,B,D,E2A400.8
HIC4-METHYL-HISTIDINEA1QZ50.8
HIC4-METHYL-HISTIDINEA2ZWH0.8
HIC4-METHYL-HISTIDINEA,B2A410.8
HIC4-METHYL-HISTIDINEB1MA90.8
HIC4-METHYL-HISTIDINEA,G3CI50.8
HIC4-METHYL-HISTIDINEA1Y640.8
HIC4-METHYL-HISTIDINEA,P1HLU0.8
HIC4-METHYL-HISTIDINEA,B2A3Z0.8
HIC4-METHYL-HISTIDINEA2FXU0.8
HIC4-METHYL-HISTIDINEA,G3CIP0.8
HIC4-METHYL-HISTIDINEA2GWJ0.8
HIC4-METHYL-HISTIDINEA,B2VCP0.8
HSOHISTIDINOLA,B1H3J1
HSOHISTIDINOLA,B,C,D1KMN1
HSOHISTIDINOLA,B2FPU1
HSOHISTIDINOLA,B1KAE1
HSOHISTIDINOLN2BKD1
PSH1-thiophosphono-L-histidineA2R7C0.77
HS83-(1-sulfo-1H-imidazol-3-ium-4-
yl)-L-alanine
A,B3ETS0.82
HS83-(1-sulfo-1H-imidazol-3-ium-4-
yl)-L-alanine
A,B3ETT0.82
CSH[2-(2-HYDROXY-1-METHYL-ETHYL)-4-
(1H-IMIDAZOL-4-YLMETHYL)-5-OXO-
IMIDAZOLIDIN-1-YL]-ACETIC ACID
A2EMN0.79
CSH[2-(2-HYDROXY-1-METHYL-ETHYL)-4-
(1H-IMIDAZOL-4-YLMETHYL)-5-OXO-
IMIDAZOLIDIN-1-YL]-ACETIC ACID
A1EMF0.79
CSH[2-(2-HYDROXY-1-METHYL-ETHYL)-4-
(1H-IMIDAZOL-4-YLMETHYL)-5-OXO-
IMIDAZOLIDIN-1-YL]-ACETIC ACID
A2EMD0.79
CSH[2-(2-HYDROXY-1-METHYL-ETHYL)-4-
(1H-IMIDAZOL-4-YLMETHYL)-5-OXO-
IMIDAZOLIDIN-1-YL]-ACETIC ACID
A2EMO0.79
4MZ4-METHYLIMIDAZOLEA1DTM0.74
4MZ4-METHYLIMIDAZOLEA,B1KEQ0.74
4MZ4-METHYLIMIDAZOLEA2FNN0.74
4MZ4-METHYLIMIDAZOLEA1MOO0.74
4MZ4-METHYLIMIDAZOLEA1G0E0.74
GIRGIRODAZOLE0,1,3,9,A,B,
C,H,J,K,L,M,
N,O,Q,R,S,T,
U,Y,Z
2OTL0.74
3AH[HISTIDIN-1-YL-4H-[1,2,4]TRIAZOL-
5-YL]-AMINE
A,B,C,D1DGH0.74
HIQ1-[1,2-DIHYDROXY-1-(HYDROXYMETHYL)ETHYL]-
L-HISTIDINE
A,B2IU40.77