Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02895204
You can sort the columns by Ligand, Ligand name, PDB and Tanimoto.
You can sort the columns by Ligand, Ligand name, PDB and Tanimoto.
Ligand | Ligand name | Chain | PDB | Tanimoto | Ligand in PDB |
---|---|---|---|---|---|
Ligand | Ligand name | Chain | PDB | Tanimoto | Ligand in PDB |
B8L | 3-[(3-SEC-BUTYL-4-HYDROXYBENZOYL)AMINO]AZEPAN- 4-YL 4-(2-HYDROXY-5-METHOXYBENZOYL)BENZOATE | A | 1REK | 0.7 | |
NCZ | 2-HYDROXY-7-METHOXY-5-METHYL-NAPHTHALENE- 1-CARBOXYLIC ACID MESO-2,5-DIHYDROXY- CYCLOPENT-3-ENYL ESTER | A | 1J5I | 0.73 | |
DM1 | DAUNOMYCIN | A | 152D | 0.71 | |
DM1 | DAUNOMYCIN | A,B,C,D | 1O0K | 0.71 | |
DM1 | DAUNOMYCIN | A | 1JO2 | 0.71 | |
DM1 | DAUNOMYCIN | A,B | 308D | 0.71 | |
DM1 | DAUNOMYCIN | A | 1D33 | 0.71 | |
DM1 | DAUNOMYCIN | A | 110D | 0.71 | |
DM1 | DAUNOMYCIN | A | 1D11 | 0.71 | |
DM1 | DAUNOMYCIN | A | 427D | 0.71 | |
DM1 | DAUNOMYCIN | A | 2D34 | 0.71 | |
DM1 | DAUNOMYCIN | A | 3F8F | 0.71 | |
DM1 | DAUNOMYCIN | A | 1D10 | 0.71 | |
DM1 | DAUNOMYCIN | A | 1DA0 | 0.71 | |
2BC | N'-[(1E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylidene]naphthalene- 2-carbohydrazide | A,B,C,D,E,F | 3DP0 | 0.72 | |
DM3 | 6-DEOXYDAUNOMYCIN | A | 1D14 | 0.71 | |
DM6 | 4'-EPIDOXORUBICIN | A | 1D15 | 0.71 | |
DM6 | 4'-EPIDOXORUBICIN | A | 1D54 | 0.71 | |
DM6 | 4'-EPIDOXORUBICIN | A | 1D58 | 0.71 | |
DM6 | 4'-EPIDOXORUBICIN | A | 1QDA | 0.71 | |
DM2 | DOXORUBICIN | A | 2DR6 | 0.71 | |
DM2 | DOXORUBICIN | A | 1P20 | 0.71 | |
DM2 | DOXORUBICIN | A | 1I1E | 0.71 | |
DM2 | DOXORUBICIN | A | 151D | 0.71 | |
DM2 | DOXORUBICIN | A | 1D12 | 0.71 | |
DM2 | DOXORUBICIN | A | 1DA9 | 0.71 | |
FLQ | N-[6-(ACETYLAMINO)HEXYL]-3',6'- DIHYDROXY-3-OXO-3H-SPIRO[2-BENZOFURAN- 1,9'-XANTHENE]-6-CARBOXAMIDE | C | 2FDC | 0.73 | |
2RB | N'-[(1E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylidene]- 4-methoxybenzohydrazide | A,B,C,D,E,F | 3DP1 | 0.72 | |
MGI | methyl 4-(2,3-dihydroxy-5-methylphenoxy)- 2-hydroxy-6-methylbenzoate | A | 2ZA0 | 0.71 | |
BDA | 4-METHYLBENZYL-N-BIS[DAUNOMYCIN] | A | 1AL9 | 0.71 | |
BDA | 4-METHYLBENZYL-N-BIS[DAUNOMYCIN] | A | 1AGL | 0.71 | |
BX3 | (+)-2-[4-[(-1-ACETIMIDOYL-4-PIPERIDINYL)OXY]- 3-(7-AMIDINO-2-NAPHTHYL)PROPIONIC ACID | A | 1MTV | 0.73 | |
BX3 | (+)-2-[4-[(-1-ACETIMIDOYL-4-PIPERIDINYL)OXY]- 3-(7-AMIDINO-2-NAPHTHYL)PROPIONIC ACID | A | 1MTU | 0.73 | |
BX3 | (+)-2-[4-[(-1-ACETIMIDOYL-4-PIPERIDINYL)OXY]- 3-(7-AMIDINO-2-NAPHTHYL)PROPIONIC ACID | A | 1MTS | 0.73 | |
K05 | (E)-3,4-DIHYDROXY-N'-[(2-METHOXYNAPHTHALEN- 1-YL)METHYLENE]BENZOHYDRAZIDE | A,B | 2I5J | 0.86 | |
DX9 | (2S)-3-(7-carbamimidoylnaphthalen- 2-yl)-2-[4-({(3R)-1-[(1Z)-ethanimidoyl]pyrrolidin- 3-yl}oxy)phenyl]propanoic acid | A | 1FAX | 0.71 | |
DX9 | (2S)-3-(7-carbamimidoylnaphthalen- 2-yl)-2-[4-({(3R)-1-[(1Z)-ethanimidoyl]pyrrolidin- 3-yl}oxy)phenyl]propanoic acid | A | 1MTW | 0.71 | |
S44 | (2S)-2-(4-propoxy-3-{[({4-[(3S,5S,7S)- tricyclo[3.3.1.1~3,7~]dec-1-yl]phenyl}carbonyl)amino]methyl}benzyl)butanoic acid | A | 2ZNN | 0.7 | |
S44 | (2S)-2-(4-propoxy-3-{[({4-[(3S,5S,7S)- tricyclo[3.3.1.1~3,7~]dec-1-yl]phenyl}carbonyl)amino]methyl}benzyl)butanoic acid | A,B | 2ZNO | 0.7 | |
NBF | [(2-ETHOXY-1-NAPHTHOYL)AMINO]METHYLBORONIC ACID | A | 1NY0 | 0.74 | |
NBF | [(2-ETHOXY-1-NAPHTHOYL)AMINO]METHYLBORONIC ACID | A,B | 1YMS | 0.74 | |
HWG | N-(TERT-BUTYL)-3,5-DIMETHYL-N'- [(5-METHYL-2,3-DIHYDRO-1,4-BENZODIOXIN- 6-YL)CARBONYL]BENZOHYDRAZIDE | A,D | 1R20 | 0.75 |