Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03101981
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 |
L27 | {1-BENZYL-3-[2-BENZYL-3-OXO-4-(1- OXO-1,2,3,4-TETRAHYDRO- ISOQUINOLIN- 4-YL)-2,3-DIHYDRO-1H-PYRROL-2-YL]- 2- HYDROXY-PROPYL}-CARBAMIC ACID TETRAHYDRO- FURAN-3-YL ESTER | A | 1NPV | 0.7 | |
BND | ME-A-N-BENZOYL-AMINO-9-DEOXY-NEU5AC | A | 1OD9 | 0.73 | |
BFN | 5-(acetylamino)-2,6-anhydro-3,5,9- trideoxy-3-fluoro-9-[(phenylcarbonyl)amino]- D-arabino-L-galacto-nononic acid | A | 3B69 | 0.72 | |
SUW | ME-A-9-N-(NAPHTHYL-2-CARBONYL)- AMINO-9-DEOXY-NEU5AC | A | 1OD7 | 0.74 | |
TA1 | TAXOL | A,B | 1JFF | 0.81 | |
TA1 | TAXOL | A,B,C | 2HXH | 0.81 | |
TA1 | TAXOL | A,B,N | 3DCO | 0.81 | |
TA1 | TAXOL | A,B,K | 2P4N | 0.81 | |
TA1 | TAXOL | A,B,D,F,G | 3EDL | 0.81 | |
TA1 | TAXOL | A,B,C | 2HXF | 0.81 | |
TA1 | TAXOL | A,B,C | 2WBE | 0.81 | |
TXL | TAXOTERE | A,B,K | 1IA0 | 0.8 | |
TXL | TAXOTERE | A,B | 1TUB | 0.8 | |
FKA | BENZYL-CARBAMIC ACID [8-DEETHYL- ASCOMYCIN-8-YL]ETHYL ESTER | B | 1A7X | 0.74 | |
EJT | 1,3-DI(N-PROPYLOXY-A-MANNOPYRANOSYL)- CARBOMYL 5-METHYAZIDO-BENZENE | A,B | 1QGL | 0.72 | |
HOP | (1S,2S,5S)2-(4-GLUTARIDYLBENZYL)- 5-PHENYL-1-CYCLOHEXANOL | H,L | 1D6V | 0.71 | |
HOP | (1S,2S,5S)2-(4-GLUTARIDYLBENZYL)- 5-PHENYL-1-CYCLOHEXANOL | A,B,H,L | 1AXS | 0.71 | |
568 | N,N-[2,5-O-DIBENZYL-GLUCARYL]-DI- [1-AMINO-INDAN-2-OL] | B | 1WBK | 0.7 | |
BDU | ME-A-9-N-(BIPHENYL-4-CARBONYL)- AMINO-9-DEOXY-NEU5AC | A | 1ODA | 0.75 |