Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00869361
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 |
CMD | 3'-DESAMINO-3'-(3-CYANO-4-MORPHOLINYL)- DOXORUBICIN | A | 236D | 0.71 | |
32P | 3-{2-[(5-AMINOPENTYL)AMINO]-2-OXOETHOXY}- 5-({[1-(4-FLUOROPHENYL)ETHYL]AMINO}CARBONYL)PHENYL PHENYLMETHANESULFONATE | A | 1TQF | 0.72 | |
B8L | 3-[(3-SEC-BUTYL-4-HYDROXYBENZOYL)AMINO]AZEPAN- 4-YL 4-(2-HYDROXY-5-METHOXYBENZOYL)BENZOATE | A | 1REK | 0.72 | |
7CA | 5,7-DIHYDROXY-2-(4-METHOXYPHENYL)- 8-(3-METHYLBUTYL)-4-OXO-4H-CHROMEN- 3-YL 6-DEOXY-ALPHA-L-MANNOPYRANOSIDE | A | 2H44 | 0.74 | |
AI1 | N-BENZYL-3-(ALPHA-D-GALACTOS-1- YL)-BENZAMIDE | D,E,F,G,H,L, M,N,O,P | 1FD7 | 0.71 | |
C39 | N-[(2S,4S,5S,7R)-4-AMINO-8-(BUTYLAMINO)- 5-HYDROXY-7-METHYL-2-(1-METHYLETHYL)- 8-OXOOCTYL]-2-(3-METHOXYPROPOXY)BENZAMIDE | C,O | 2V12 | 0.73 | |
2HI | (2S,3R)-2,7-DIHYDROXY-3-(4-HYDROXYPHENYL)- 2,3-DIHYDRO-4H-CHROMEN-4-ONE | A | 1ZG3 | 0.71 | |
418 | 2-{4-[2-(S)-ALLYLOXYCARBONYLAMINO- 3-{4-[(2-CARBOXY-PHENYL)-OXALYL- AMINO]-PHENYL}-PROPIONYLAMINO]- BUTOXY}-6-HYDROXY-BENZOIC ACID METHYL ESTER | A | 1PH0 | 0.71 | |
C01 | (2S)-(4-ISOPROPYLPHENYL)[(2-METHYL- 3-OXO-5,7-DIPROPYL-2,3-DIHYDRO- 1,2-BENZISOXAZOL-6-YL)OXY]ACETATE | A | 1ZEO | 0.72 | |
BA1 | BALANOL | A | 1BX6 | 0.73 | |
429 | 2-{4-[2-ACETYLAMINO-3-(4-CARBOXYMETHOXY- 3-HYDROXY-PHENYL)-PROPIONYLAMINO]- BUTOXY}-6-HYDROXY-BENZOIC ACID METHYL ESTER | A | 1QXK | 0.74 | |
C40 | N-[(2R,4S,5S,7R)-4-AMINO-8-(BUTYLAMINO)- 5-HYDROXY-2,7-DIMETHYL-8-OXOOCTYL]- 2-(3-METHOXYPROPOXY)BENZAMIDE | A | 2V13 | 0.73 | |
BDA | 4-METHYLBENZYL-N-BIS[DAUNOMYCIN] | A | 1AL9 | 0.75 | |
BDA | 4-METHYLBENZYL-N-BIS[DAUNOMYCIN] | A | 1AGL | 0.75 | |
BVL | (2E)-1-[2-hydroxy-4-methoxy-5-(3- methylbut-2-en-1-yl)phenyl]-3-(4- hydroxyphenyl)prop-2-en-1-one | A | 2ZBH | 0.73 | |
BNR | BIS-DAUNORUBICIN | B | 1AMD | 0.75 | |
CC0 | (4-{2-ACETYLAMINO-2-[1-(3-CARBAMOYL- 4-CYCLOHEXYLMETHOXY-PHENYL)-ETHYLCARBAMOYL}- ETHYL}-2-PHOSPHONO-PHENOXY)-ACETIC ACID | A | 1IJR | 0.72 | |
941 | 2-(4-{2-TERT-BUTOXYCARBONYLAMINO- 2-[4-(3-HYDROXY-2-METHOXYCARBONYL- PHENOXY)-BUTYLCARBAMOYL]-ETHYL}- PHENOXY)-MALONIC ACID | A | 1PYN | 0.74 | |
401 | (2S)-2-{3-[({[2-fluoro-4-(trifluoromethyl)phenyl]carbonyl}amino)methyl]- 4-methoxybenzyl}butanoic acid | A,B | 2ZNQ | 0.74 | |
BD2 | 3-[(4-HYDROXYBENZOYL)AMINO]AZEPAN- 4-YL 4-(2-HYDROXYBENZOYL)BENZOATE | A | 1RE8 | 0.71 | |
AGI | 5,7-dihydroxy-2-(4-hydroxyphenyl)- 4H-chromen-4-one | A,B,C,D,E,F | 3CF9 | 0.74 |