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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03288214

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
HS83-(1-sulfo-1H-imidazol-3-ium-4-
yl)-L-alanine
A,B3ETS0.86
HS83-(1-sulfo-1H-imidazol-3-ium-4-
yl)-L-alanine
A,B3ETT0.86
RIGARGADINA,B1W9U0.81
RIGARGADINA1WAW0.81
CSH[2-(2-HYDROXY-1-METHYL-ETHYL)-4-
(1H-IMIDAZOL-4-YLMETHYL)-5-OXO-
IMIDAZOLIDIN-1-YL]-ACETIC ACID
A2EMN0.85
CSH[2-(2-HYDROXY-1-METHYL-ETHYL)-4-
(1H-IMIDAZOL-4-YLMETHYL)-5-OXO-
IMIDAZOLIDIN-1-YL]-ACETIC ACID
A1EMF0.85
CSH[2-(2-HYDROXY-1-METHYL-ETHYL)-4-
(1H-IMIDAZOL-4-YLMETHYL)-5-OXO-
IMIDAZOLIDIN-1-YL]-ACETIC ACID
A2EMD0.85
CSH[2-(2-HYDROXY-1-METHYL-ETHYL)-4-
(1H-IMIDAZOL-4-YLMETHYL)-5-OXO-
IMIDAZOLIDIN-1-YL]-ACETIC ACID
A2EMO0.85
DDE{3-[4-(2-AMINO-2-CARBOXY-ETHYL)-
1H-IMIDAZOL-2-YL]-1-CARBAMOYL-PROPYL}-
TRIMETHYL-AMMONIUM
T2P8Z0.91
DDE{3-[4-(2-AMINO-2-CARBOXY-ETHYL)-
1H-IMIDAZOL-2-YL]-1-CARBAMOYL-PROPYL}-
TRIMETHYL-AMMONIUM
T2P8Y0.91
DDE{3-[4-(2-AMINO-2-CARBOXY-ETHYL)-
1H-IMIDAZOL-2-YL]-1-CARBAMOYL-PROPYL}-
TRIMETHYL-AMMONIUM
A,B,C,D,E,F2ZIT0.91
DDE{3-[4-(2-AMINO-2-CARBOXY-ETHYL)-
1H-IMIDAZOL-2-YL]-1-CARBAMOYL-PROPYL}-
TRIMETHYL-AMMONIUM
A,C,E1ZM30.91
DDE{3-[4-(2-AMINO-2-CARBOXY-ETHYL)-
1H-IMIDAZOL-2-YL]-1-CARBAMOYL-PROPYL}-
TRIMETHYL-AMMONIUM
A1U2R0.91
DDE{3-[4-(2-AMINO-2-CARBOXY-ETHYL)-
1H-IMIDAZOL-2-YL]-1-CARBAMOYL-PROPYL}-
TRIMETHYL-AMMONIUM
A,B,C,D,E,F1ZM90.91
DDE{3-[4-(2-AMINO-2-CARBOXY-ETHYL)-
1H-IMIDAZOL-2-YL]-1-CARBAMOYL-PROPYL}-
TRIMETHYL-AMMONIUM
A,B,C,D,E,F3B780.91
DDE{3-[4-(2-AMINO-2-CARBOXY-ETHYL)-
1H-IMIDAZOL-2-YL]-1-CARBAMOYL-PROPYL}-
TRIMETHYL-AMMONIUM
A,B,C,D,E,F3B8H0.91
DDE{3-[4-(2-AMINO-2-CARBOXY-ETHYL)-
1H-IMIDAZOL-2-YL]-1-CARBAMOYL-PROPYL}-
TRIMETHYL-AMMONIUM
T2P8X0.91
DDE{3-[4-(2-AMINO-2-CARBOXY-ETHYL)-
1H-IMIDAZOL-2-YL]-1-CARBAMOYL-PROPYL}-
TRIMETHYL-AMMONIUM
A,B,C,D,E,F3B820.91
DDE{3-[4-(2-AMINO-2-CARBOXY-ETHYL)-
1H-IMIDAZOL-2-YL]-1-CARBAMOYL-PROPYL}-
TRIMETHYL-AMMONIUM
A,B,C,D,E,F1ZM40.91
DDE{3-[4-(2-AMINO-2-CARBOXY-ETHYL)-
1H-IMIDAZOL-2-YL]-1-CARBAMOYL-PROPYL}-
TRIMETHYL-AMMONIUM
A,C,E1ZM20.91
HIC4-METHYL-HISTIDINEA2Q970.86
HIC4-METHYL-HISTIDINEA1QZ60.86
HIC4-METHYL-HISTIDINEA3CHW0.86
HIC4-METHYL-HISTIDINEA,B2GWK0.86
HIC4-METHYL-HISTIDINEA,B,D,E1MDU0.86
HIC4-METHYL-HISTIDINEA2ASO0.86
HIC4-METHYL-HISTIDINEA,B2D1K0.86
HIC4-METHYL-HISTIDINEA,S1C0F0.86
HIC4-METHYL-HISTIDINEA,D1ATN0.86
HIC4-METHYL-HISTIDINEA,B2A420.86
HIC4-METHYL-HISTIDINEA,P2BTF0.86
HIC4-METHYL-HISTIDINEA,B1LOT0.86
HIC4-METHYL-HISTIDINEA1NWK0.86
HIC4-METHYL-HISTIDINEA,S1C0G0.86
HIC4-METHYL-HISTIDINEA,S1EQY0.86
HIC4-METHYL-HISTIDINEA2PAV0.86
HIC4-METHYL-HISTIDINEA2Q0U0.86
HIC4-METHYL-HISTIDINEA,B2HMP0.86
HIC4-METHYL-HISTIDINEA2PBD0.86
HIC4-METHYL-HISTIDINEA,S1DEJ0.86
HIC4-METHYL-HISTIDINEA,S1ESV0.86
HIC4-METHYL-HISTIDINEA1J6Z0.86
HIC4-METHYL-HISTIDINEA1WUA0.86
HIC4-METHYL-HISTIDINEA,B1YXQ0.86
HIC4-METHYL-HISTIDINEA1S220.86
HIC4-METHYL-HISTIDINEA,B,D,E2A400.86
HIC4-METHYL-HISTIDINEA1QZ50.86
HIC4-METHYL-HISTIDINEA2ZWH0.86
HIC4-METHYL-HISTIDINEA,B2A410.86
HIC4-METHYL-HISTIDINEB1MA90.86
HIC4-METHYL-HISTIDINEA,G3CI50.86
HIC4-METHYL-HISTIDINEA1Y640.86
HIC4-METHYL-HISTIDINEA,P1HLU0.86
HIC4-METHYL-HISTIDINEA,B2A3Z0.86
HIC4-METHYL-HISTIDINEA2FXU0.86
HIC4-METHYL-HISTIDINEA,G3CIP0.86
HIC4-METHYL-HISTIDINEA2GWJ0.86
HIC4-METHYL-HISTIDINEA,B2VCP0.86
720(2S)-5-AMINO-2-[(1-PROPYL-1H-IMIDAZOL-
4-YL)METHYL]PENTANOIC ACID
A2JEW0.8
HIQ1-[1,2-DIHYDROXY-1-(HYDROXYMETHYL)ETHYL]-
L-HISTIDINE
A,B2IU40.82
PVHHISTIDINE-METHYL-ESTERB,D,F1IBV0.86
PVHHISTIDINE-METHYL-ESTERB,D,F1IBW0.86
PSH1-thiophosphono-L-histidineA2R7C0.81
HIPND1-PHOSPHONOHISTIDINEA,B,C,D,E,F2VME0.85
HIPND1-PHOSPHONOHISTIDINEA1NSP0.85
HIPND1-PHOSPHONOHISTIDINEA,B,C1NSQ0.85
HIPND1-PHOSPHONOHISTIDINEA1PFH0.85
HIPND1-PHOSPHONOHISTIDINEA1JEM0.85
3AH[HISTIDIN-1-YL-4H-[1,2,4]TRIAZOL-
5-YL]-AMINE
A,B,C,D1DGH0.8
IIC4-IMIDAZOLMETHYLENE-5-IMIDAZOLONE CHROMOPHOREA1BFP0.84
CHQCYCLO-(L-HISTIDINE-L-PROLINE) INHIBITORA,B1W1T0.79
MHSN1-METHYLATED HISTIDINEA,B,C,D,E,F1HBO0.86
MHSN1-METHYLATED HISTIDINEA,C,D,F1MRO0.86
MHSN1-METHYLATED HISTIDINEA,C,D,F1E6Y0.86
MHSN1-METHYLATED HISTIDINEA,B,C,D,E,F1HBM0.86
MHSN1-METHYLATED HISTIDINEA,B,C,D,E,F1HBN0.86
MHSN1-METHYLATED HISTIDINEA,B,C,D,E,F1HBU0.86
CR82-[1-AMINO-2-(1H-IMIDAZOL-5-YL)ETHYL]-
1-(CARBOXYMETHYL)-4-[(4-OXOCYCLOHEXA-
2,5-DIEN-1-YLIDENE)METHYL]-1H-IMIDAZOL-
5-OLATE
A,B,C,D2VVI0.7
CR82-[1-AMINO-2-(1H-IMIDAZOL-5-YL)ETHYL]-
1-(CARBOXYMETHYL)-4-[(4-OXOCYCLOHEXA-
2,5-DIEN-1-YLIDENE)METHYL]-1H-IMIDAZOL-
5-OLATE
A,B,C,D1ZUX0.7
CR82-[1-AMINO-2-(1H-IMIDAZOL-5-YL)ETHYL]-
1-(CARBOXYMETHYL)-4-[(4-OXOCYCLOHEXA-
2,5-DIEN-1-YLIDENE)METHYL]-1H-IMIDAZOL-
5-OLATE
A,B2DDD0.7
CR82-[1-AMINO-2-(1H-IMIDAZOL-5-YL)ETHYL]-
1-(CARBOXYMETHYL)-4-[(4-OXOCYCLOHEXA-
2,5-DIEN-1-YLIDENE)METHYL]-1H-IMIDAZOL-
5-OLATE
A,B2DDC0.7
CR82-[1-AMINO-2-(1H-IMIDAZOL-5-YL)ETHYL]-
1-(CARBOXYMETHYL)-4-[(4-OXOCYCLOHEXA-
2,5-DIEN-1-YLIDENE)METHYL]-1H-IMIDAZOL-
5-OLATE
A,B,C,D2VVH0.7
CR82-[1-AMINO-2-(1H-IMIDAZOL-5-YL)ETHYL]-
1-(CARBOXYMETHYL)-4-[(4-OXOCYCLOHEXA-
2,5-DIEN-1-YLIDENE)METHYL]-1H-IMIDAZOL-
5-OLATE
A,B2GW30.7
HRBN-ACETYL-1-[(2R,3S,5R)-5-HYDROXY-
2-PENTYLTETRAHYDROFURAN-3-YL]-L-
HISTIDINE
H,L2DDQ0.79
AHNN-[2-(1H-IMIDAZOL-4-YL)ETHYL]ACETAMIDEA,B2AFW0.75
DHID-HISTIDINEP1MCB0.9
DHID-HISTIDINEA2EZ70.9
DHID-HISTIDINEP1MCN0.9
DHID-HISTIDINEA,D1CZQ0.9
DHID-HISTIDINEI1ER80.9
DHID-HISTIDINEP1MCL0.9
DHID-HISTIDINEA,B,C,D3BOG0.9
DHID-HISTIDINEA,L1ZEA0.9
BDHL-BETA-ASPARTYLHISTIDINEA,B1YBQ0.92
XXY2-[(1R,2R)-1-amino-2-hydroxypropyl]-
1-(carboxymethyl)-4-(1H-imidazol-
5-ylmethyl)-1H-imidazol-5-olate
A2FWQ0.76
CRG[2-(1-AMINO-2-HYDROXY-PROPYL)-4-
(3H-IMIDAZOL-4-YLMETHYLENE)-5-OXO-
4,5-DIHYDRO-IMIDAZOL-1-YL]-ACETIC ACID
A1KYS0.72
CRG[2-(1-AMINO-2-HYDROXY-PROPYL)-4-
(3H-IMIDAZOL-4-YLMETHYLENE)-5-OXO-
4,5-DIHYDRO-IMIDAZOL-1-YL]-ACETIC ACID
A1KYR0.72
CRG[2-(1-AMINO-2-HYDROXY-PROPYL)-4-
(3H-IMIDAZOL-4-YLMETHYLENE)-5-OXO-
4,5-DIHYDRO-IMIDAZOL-1-YL]-ACETIC ACID
A1KYP0.72
HIAL-HISTIDINE AMIDEB1URL0.8
NEPN1-PHOSPHONOHISTIDINEA,B3FDZ0.82
NEPN1-PHOSPHONOHISTIDINEA,B,D,E2NU60.82
NEPN1-PHOSPHONOHISTIDINEA1E580.82
NEPN1-PHOSPHONOHISTIDINEA,B1TIP0.82
NEPN1-PHOSPHONOHISTIDINEA,B2QE60.82
NEPN1-PHOSPHONOHISTIDINEA,B,C1WVQ0.82
NEPN1-PHOSPHONOHISTIDINEA,B2HHJ0.82
NEPN1-PHOSPHONOHISTIDINEA,B,D,E,F,G,
H,I
2NU90.82
NEPN1-PHOSPHONOHISTIDINEA,B1EUD0.82
NEPN1-PHOSPHONOHISTIDINEA,D1SCU0.82
NEPN1-PHOSPHONOHISTIDINEA,B2FPP0.82
NEPN1-PHOSPHONOHISTIDINEA,B2HWG0.82
NEPN1-PHOSPHONOHISTIDINEA,B1VSQ0.82
NEPN1-PHOSPHONOHISTIDINEA,B2FPI0.82
NEPN1-PHOSPHONOHISTIDINEA1QWO0.82
NEPN1-PHOSPHONOHISTIDINEA,B,D,E2SCU0.82
NEPN1-PHOSPHONOHISTIDINEA,B2FP40.82
HSAPHOSPHORIC ACID MONO-[2-AMINO-3-
(3H-IMIDAZOL-4-YL)-PROPYL]ESTER
A1GEX0.75
HSAPHOSPHORIC ACID MONO-[2-AMINO-3-
(3H-IMIDAZOL-4-YL)-PROPYL]ESTER
A,B,C,D1UU10.75
HSAPHOSPHORIC ACID MONO-[2-AMINO-3-
(3H-IMIDAZOL-4-YL)-PROPYL]ESTER
A1FG30.75
MH11-methyl-L-histidineA,B3G880.86
MH11-methyl-L-histidineA,B3G890.86
MH11-methyl-L-histidineA,B,C,D,E,F3G8A0.86
HSOHISTIDINOLA,B1H3J0.77
HSOHISTIDINOLA,B,C,D1KMN0.77
HSOHISTIDINOLA,B2FPU0.77
HSOHISTIDINOLA,B1KAE0.77
HSOHISTIDINOLN2BKD0.77