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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00484048

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
HRBN-ACETYL-1-[(2R,3S,5R)-5-HYDROXY-
2-PENTYLTETRAHYDROFURAN-3-YL]-L-
HISTIDINE
H,L2DDQ0.77
HSOHISTIDINOLA,B1H3J0.83
HSOHISTIDINOLA,B,C,D1KMN0.83
HSOHISTIDINOLA,B2FPU0.83
HSOHISTIDINOLA,B1KAE0.83
HSOHISTIDINOLN2BKD0.83
DHID-HISTIDINEP1MCB0.85
DHID-HISTIDINEA2EZ70.85
DHID-HISTIDINEP1MCN0.85
DHID-HISTIDINEA,D1CZQ0.85
DHID-HISTIDINEI1ER80.85
DHID-HISTIDINEP1MCL0.85
DHID-HISTIDINEA,B,C,D3BOG0.85
DHID-HISTIDINEA,L1ZEA0.85
AHNN-[2-(1H-IMIDAZOL-4-YL)ETHYL]ACETAMIDEA,B2AFW0.81
HIQ1-[1,2-DIHYDROXY-1-(HYDROXYMETHYL)ETHYL]-
L-HISTIDINE
A,B2IU40.79
CSH[2-(2-HYDROXY-1-METHYL-ETHYL)-4-
(1H-IMIDAZOL-4-YLMETHYL)-5-OXO-
IMIDAZOLIDIN-1-YL]-ACETIC ACID
A2EMN0.91
CSH[2-(2-HYDROXY-1-METHYL-ETHYL)-4-
(1H-IMIDAZOL-4-YLMETHYL)-5-OXO-
IMIDAZOLIDIN-1-YL]-ACETIC ACID
A1EMF0.91
CSH[2-(2-HYDROXY-1-METHYL-ETHYL)-4-
(1H-IMIDAZOL-4-YLMETHYL)-5-OXO-
IMIDAZOLIDIN-1-YL]-ACETIC ACID
A2EMD0.91
CSH[2-(2-HYDROXY-1-METHYL-ETHYL)-4-
(1H-IMIDAZOL-4-YLMETHYL)-5-OXO-
IMIDAZOLIDIN-1-YL]-ACETIC ACID
A2EMO0.91
720(2S)-5-AMINO-2-[(1-PROPYL-1H-IMIDAZOL-
4-YL)METHYL]PENTANOIC ACID
A2JEW0.76
DDE{3-[4-(2-AMINO-2-CARBOXY-ETHYL)-
1H-IMIDAZOL-2-YL]-1-CARBAMOYL-PROPYL}-
TRIMETHYL-AMMONIUM
T2P8Z0.89
DDE{3-[4-(2-AMINO-2-CARBOXY-ETHYL)-
1H-IMIDAZOL-2-YL]-1-CARBAMOYL-PROPYL}-
TRIMETHYL-AMMONIUM
T2P8Y0.89
DDE{3-[4-(2-AMINO-2-CARBOXY-ETHYL)-
1H-IMIDAZOL-2-YL]-1-CARBAMOYL-PROPYL}-
TRIMETHYL-AMMONIUM
A,B,C,D,E,F2ZIT0.89
DDE{3-[4-(2-AMINO-2-CARBOXY-ETHYL)-
1H-IMIDAZOL-2-YL]-1-CARBAMOYL-PROPYL}-
TRIMETHYL-AMMONIUM
A,C,E1ZM30.89
DDE{3-[4-(2-AMINO-2-CARBOXY-ETHYL)-
1H-IMIDAZOL-2-YL]-1-CARBAMOYL-PROPYL}-
TRIMETHYL-AMMONIUM
A1U2R0.89
DDE{3-[4-(2-AMINO-2-CARBOXY-ETHYL)-
1H-IMIDAZOL-2-YL]-1-CARBAMOYL-PROPYL}-
TRIMETHYL-AMMONIUM
A,B,C,D,E,F1ZM90.89
DDE{3-[4-(2-AMINO-2-CARBOXY-ETHYL)-
1H-IMIDAZOL-2-YL]-1-CARBAMOYL-PROPYL}-
TRIMETHYL-AMMONIUM
A,B,C,D,E,F3B780.89
DDE{3-[4-(2-AMINO-2-CARBOXY-ETHYL)-
1H-IMIDAZOL-2-YL]-1-CARBAMOYL-PROPYL}-
TRIMETHYL-AMMONIUM
A,B,C,D,E,F3B8H0.89
DDE{3-[4-(2-AMINO-2-CARBOXY-ETHYL)-
1H-IMIDAZOL-2-YL]-1-CARBAMOYL-PROPYL}-
TRIMETHYL-AMMONIUM
T2P8X0.89
DDE{3-[4-(2-AMINO-2-CARBOXY-ETHYL)-
1H-IMIDAZOL-2-YL]-1-CARBAMOYL-PROPYL}-
TRIMETHYL-AMMONIUM
A,B,C,D,E,F3B820.89
DDE{3-[4-(2-AMINO-2-CARBOXY-ETHYL)-
1H-IMIDAZOL-2-YL]-1-CARBAMOYL-PROPYL}-
TRIMETHYL-AMMONIUM
A,B,C,D,E,F1ZM40.89
DDE{3-[4-(2-AMINO-2-CARBOXY-ETHYL)-
1H-IMIDAZOL-2-YL]-1-CARBAMOYL-PROPYL}-
TRIMETHYL-AMMONIUM
A,C,E1ZM20.89
HIC4-METHYL-HISTIDINEA2Q970.81
HIC4-METHYL-HISTIDINEA1QZ60.81
HIC4-METHYL-HISTIDINEA3CHW0.81
HIC4-METHYL-HISTIDINEA,B2GWK0.81
HIC4-METHYL-HISTIDINEA,B,D,E1MDU0.81
HIC4-METHYL-HISTIDINEA2ASO0.81
HIC4-METHYL-HISTIDINEA,B2D1K0.81
HIC4-METHYL-HISTIDINEA,S1C0F0.81
HIC4-METHYL-HISTIDINEA,D1ATN0.81
HIC4-METHYL-HISTIDINEA,B2A420.81
HIC4-METHYL-HISTIDINEA,P2BTF0.81
HIC4-METHYL-HISTIDINEA,B1LOT0.81
HIC4-METHYL-HISTIDINEA1NWK0.81
HIC4-METHYL-HISTIDINEA,S1C0G0.81
HIC4-METHYL-HISTIDINEA,S1EQY0.81
HIC4-METHYL-HISTIDINEA2PAV0.81
HIC4-METHYL-HISTIDINEA2Q0U0.81
HIC4-METHYL-HISTIDINEA,B2HMP0.81
HIC4-METHYL-HISTIDINEA2PBD0.81
HIC4-METHYL-HISTIDINEA,S1DEJ0.81
HIC4-METHYL-HISTIDINEA,S1ESV0.81
HIC4-METHYL-HISTIDINEA1J6Z0.81
HIC4-METHYL-HISTIDINEA1WUA0.81
HIC4-METHYL-HISTIDINEA,B1YXQ0.81
HIC4-METHYL-HISTIDINEA1S220.81
HIC4-METHYL-HISTIDINEA,B,D,E2A400.81
HIC4-METHYL-HISTIDINEA1QZ50.81
HIC4-METHYL-HISTIDINEA2ZWH0.81
HIC4-METHYL-HISTIDINEA,B2A410.81
HIC4-METHYL-HISTIDINEB1MA90.81
HIC4-METHYL-HISTIDINEA,G3CI50.81
HIC4-METHYL-HISTIDINEA1Y640.81
HIC4-METHYL-HISTIDINEA,P1HLU0.81
HIC4-METHYL-HISTIDINEA,B2A3Z0.81
HIC4-METHYL-HISTIDINEA2FXU0.81
HIC4-METHYL-HISTIDINEA,G3CIP0.81
HIC4-METHYL-HISTIDINEA2GWJ0.81
HIC4-METHYL-HISTIDINEA,B2VCP0.81
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
BDHL-BETA-ASPARTYLHISTIDINEA,B1YBQ0.91
IIC4-IMIDAZOLMETHYLENE-5-IMIDAZOLONE CHROMOPHOREA1BFP0.88
HSMHISTAMINEA,B1U180.73
HSMHISTAMINEA1AVN0.73
HSMHISTAMINEA,B1KAR0.73
HSMHISTAMINEA,B1NP10.73
HSMHISTAMINEA,B1JQD0.73
HSMHISTAMINEA,B2QEB0.73
HSMHISTAMINEA,B1QFV0.73
HSMHISTAMINEA1IKE0.73
HSMHISTAMINEA3BU10.73
HSMHISTAMINEA,B1QFT0.73
HIAL-HISTIDINE AMIDEB1URL0.88
3AH[HISTIDIN-1-YL-4H-[1,2,4]TRIAZOL-
5-YL]-AMINE
A,B,C,D1DGH0.77
HSAPHOSPHORIC ACID MONO-[2-AMINO-3-
(3H-IMIDAZOL-4-YL)-PROPYL]ESTER
A1GEX0.74
HSAPHOSPHORIC ACID MONO-[2-AMINO-3-
(3H-IMIDAZOL-4-YL)-PROPYL]ESTER
A,B,C,D1UU10.74
HSAPHOSPHORIC ACID MONO-[2-AMINO-3-
(3H-IMIDAZOL-4-YL)-PROPYL]ESTER
A1FG30.74
CHQCYCLO-(L-HISTIDINE-L-PROLINE) INHIBITORA,B1W1T0.86
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
HIPND1-PHOSPHONOHISTIDINEA,B,C,D,E,F2VME0.82
HIPND1-PHOSPHONOHISTIDINEA1NSP0.82
HIPND1-PHOSPHONOHISTIDINEA,B,C1NSQ0.82
HIPND1-PHOSPHONOHISTIDINEA1PFH0.82
HIPND1-PHOSPHONOHISTIDINEA1JEM0.82
HS83-(1-sulfo-1H-imidazol-3-ium-4-
yl)-L-alanine
A,B3ETS0.83
HS83-(1-sulfo-1H-imidazol-3-ium-4-
yl)-L-alanine
A,B3ETT0.83