Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02257641
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 |
168 | PANTOTHENYL-AMINOETHANOL-ACETATE PIVALIC ACID | A,B,C,D | 1OU6 | 0.89 |  |
PAZ | N-[(2R)-2-hydroxy-3,3-dimethyl- 4-(phosphonooxy)butanoyl]-beta- alanine | A,B,C,D,E,F | 3BF3 | 0.82 | |
PM5 | S-(2-{[N-(2-HYDROXY-4-{[HYDROXY(OXIDO)PHOSPHINO]OXY}- 3,3-DIMETHYLBUTANOYL)-BETA-ALANYL]AMINO}ETHYL) HEPTANETHIOATE | A,B | 2FAD | 0.73 | |
SXA | THIOACETIC ACID S-{2-[3-(2-HYDROXY- 3,3-DIMETHYL-4-PHOSPHONOOXY-BUTYRYLAMINO)- PROPIONYLAMINO]-ETHYL} ESTER | A | 2KG6 | 0.81 | |
OPI | PANTOTHENYL-AMINOETHANOL-11-PIVALIC ACID | A,B,C,D | 2VU1 | 0.91 | |
PM8 | S-(2-{[N-(2-HYDROXY-4-{[HYDROXY(OXIDO)PHOSPHINO]OXY}- 3,3-DIMETHYLBUTANOYL)-BETA-ALANYL]AMINO}ETHYL) DECANETHIOATE | A,B | 2FAE | 0.72 | |
SXO | S-[2-({N-[(2S)-2-hydroxy-3,3-dimethyl- 4-(phosphonooxy)butanoyl]-beta- alanyl}amino)ethyl] octanethioate | A | 2KGC | 0.71 | |
PM4 | S-(2-{[N-(2-HYDROXY-4-{[HYDROXY(OXIDO)PHOSPHINO]OXY}- 3,3-DIMETHYLBUTANOYL)-BETA-ALANYL]AMINO}ETHYL) HEXANETHIOATE | A,B | 2FAC | 0.75 | |
SXD | N-{2-[(3,5-dioxohexyl)sulfanyl]ethyl}- N~3~-[(2S)-2-hydroxy-3,3-dimethyl- 4-(phosphonooxy)butanoyl]-beta- alaninamide | A | 2KGE | 0.74 | |
SXH | S-[2-({N-[(2S)-2-hydroxy-3,3-dimethyl- 4-(phosphonooxy)butanoyl]-beta- alanyl}amino)ethyl] hexanethioate | A | 2KGA | 0.74 | |
PNS | 4'-PHOSPHOPANTETHEINE | A,B | 1QJC | 0.84 | |
| PNS | 4'-PHOSPHOPANTETHEINE | A | 2FVA | 0.84 | |
| PNS | 4'-PHOSPHOPANTETHEINE | A,B,C,D,E,F | 1VLH | 0.84 | |
| PNS | 4'-PHOSPHOPANTETHEINE | A | 2KJS | 0.84 | |
| PNS | 4'-PHOSPHOPANTETHEINE | A | 1OD6 | 0.84 | |
| PNS | 4'-PHOSPHOPANTETHEINE | A,B | 3GZM | 0.84 | |
| PNS | 4'-PHOSPHOPANTETHEINE | A | 2FQ2 | 0.84 | |
| PNS | 4'-PHOSPHOPANTETHEINE | A | 2FVF | 0.84 | |
| PNS | 4'-PHOSPHOPANTETHEINE | A,B | 1H1T | 0.84 | |
| PNS | 4'-PHOSPHOPANTETHEINE | A | 2K0X | 0.84 | |
| PNS | 4'-PHOSPHOPANTETHEINE | A | 2FQ0 | 0.84 | |
| PNS | 4'-PHOSPHOPANTETHEINE | A | 3GZL | 0.84 | |
PN5 | (3R)-3-hydroxy-2,2-dimethyl-4-oxo- 4-({3-oxo-3-[(2-sulfanylethyl)amino]propyl}amino)butyl 2,2- dimethylpropanoate | A,B | 2VU2 | 0.84 | |
SXV | N~3~-[(2S)-2-hydroxy-3,3-dimethyl- 4-(phosphonooxy)butanoyl]-N-{2- [(3-oxobutyl)sulfanyl]ethyl}-beta- alaninamide | A | 2KGD | 0.78 | |
PN2 | A,D,E,F | 1F80 | 0.77 | | |
PCO | 2,4-DIHYDROXY-N-[2-(2-MERCAPTO- VINYLCARBAMOYL)-ETHYL]-3,3-DIMETHYL- BUTYRAMIDE | A | 1MVN | 0.84 | |
E6C | N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO- 2-METHYL-BUTANE | A | 1PPP | 0.73 | |
| E6C | N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO- 2-METHYL-BUTANE | A | 1PE6 | 0.73 | |
| E6C | N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO- 2-METHYL-BUTANE | A | 1ITO | 0.73 | |
XDL | XYLOSE-DERIVED ISOFAGOMINE LACTAM | A | 1OD8 | 0.71 | |
ZMP | ({(3S)-3-hydroxy-2,2-dimethyl-4- oxo-4-[(3-oxo-3-{[2-(tetradecanoylsulfanyl)ethyl]amino}propyl)amino]butyl}oxy)(oxo)phosphoniumolate | A,B,C,D,E,F, G,H | 3EJB | 0.72 | |
SXM | 3-{[2-({N-[(2S)-2-hydroxy-3,3-dimethyl- 4-(phosphonooxy)butanoyl]-beta- alanyl}amino)ethyl]sulfanyl}-3- oxopropanoic acid | A | 2KG8 | 0.74 | |
PAU | PANTOTHENOIC ACID | A,B | 2F9W | 0.91 | |
| PAU | PANTOTHENOIC ACID | A,B,C,D,E,F | 3BF1 | 0.91 | |
| PAU | PANTOTHENOIC ACID | A,B,C,D | 1SQ5 | 0.91 | |
| PAU | PANTOTHENOIC ACID | A,B,C,D,E,F | 3BEX | 0.91 | |
PT3 | N-PROPYL-TARTRAMIC ACID | A,B,C,D | 2HPA | 0.74 | |
PSR | THIOBUTYRIC ACID S-{2-[3-(2-HYDROXY- 3,3-DIMETHYL-4-PHOSPHONOOXY-BUTYRYLAMINO)- PROPIONYLAMINO]-ETHYL} ESTER | A | 1L0I | 0.79 | |
| PSR | THIOBUTYRIC ACID S-{2-[3-(2-HYDROXY- 3,3-DIMETHYL-4-PHOSPHONOOXY-BUTYRYLAMINO)- PROPIONYLAMINO]-ETHYL} ESTER | A | 2KG9 | 0.79 | |