Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00462976
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 |
FLQ | N-[6-(ACETYLAMINO)HEXYL]-3',6'- DIHYDROXY-3-OXO-3H-SPIRO[2-BENZOFURAN- 1,9'-XANTHENE]-6-CARBOXAMIDE | C | 2FDC | 0.72 |  |
AB8 | (1S,3R,8AS)-8-(2-{(4S,6S)-3-(4- HYDROXY-3-METHOXYBENZYL)-4-[2-(METHYLAMINO)- 2-OXOETHYL]-2-OXO-1,3-OXAZINAN- 6-YL}ETHYL)-3,7-DIMETHYL-1,2,3,7,8,8A- HEXAHYDRONAPHTHALEN-1-YL (2R)-2- METHYLBUTANOATE | A,B | 1XDG | 0.74 | |
NCS | B | 1KVH | 0.71 | | |
| NCS | A | 2NEO | 0.71 | | |
BHP | (S)-5-(4-BENZYLOXY-PHENYL)-4-(7- PHENYL-HEPTANOYLAMINO)-PENTANOIC ACID | A,B | 1J1A | 0.71 | |
GGO | (4R,5R)-5-AMINO-1-[2-(1,3-BENZODIOXOL- 5-YL)ETHYL]-4-(2,4,5-TRIFLUOROPHENYL)PIPERIDIN- 2-ONE | B | 2OQI | 0.71 | |
DPD | A,B | 1QIW | 0.71 | | |
| DPD | A | 1QIV | 0.71 | | |
AP1 | {3-[3-(3,4-DIMETHOXY-PHENYL)-1- (1-{1-[2-(3,4,5-TRIMETHOXY-PHENYL)- BUTYRYL]-PIPERIDIN-2YL}-VINYLOXY)- PROPYL]-PHENOXY}-ACETIC ACID | A,B | 1BL4 | 0.72 | |
C41 | ALISKIREN | C,O | 2V0Z | 0.74 | |
GNT | (-)-GALANTHAMINE | A | 1DX6 | 0.73 | |
| GNT | (-)-GALANTHAMINE | A | 1QTI | 0.73 | |
| GNT | (-)-GALANTHAMINE | A,B,C,D,E | 2PH9 | 0.73 | |
| GNT | (-)-GALANTHAMINE | A,B | 1W76 | 0.73 | |
| GNT | (-)-GALANTHAMINE | A | 1W6R | 0.73 | |
POD | 9-HYDROXY-5-(3,4,5-TRIMETHOXYPHENYL)- 5,8,8A,9-TETRAHYDROFURO[3',4':6,7]NAPHTHO[2,3- D][1,3]DIOXOL-6(5AH)-ONE | A,B,C,D | 1SA1 | 0.71 | |
C61 | (2R,4S,5S,7S)-5-AMINO-N-BUTYL-4- HYDROXY-7-[4-METHOXY-3-(3-METHOXYPROPOXY)BENZYL]- 2,8-DIMETHYLNONANAMIDE | C,O | 2V10 | 0.73 | |
5RM | (5R)-5-(4-methoxy-3-propoxyphenyl)- 5-methyl-1,3-oxazolidin-2-one | A,B | 1XM6 | 0.73 | |
4SR | (4S)-4-[3-(CYCLOPENTYLOXY)-4-METHOXYPHENYL]PYRROLIDIN- 2-ONE | A,B | 1XN0 | 0.75 | |
HMT | (3beta)-O~3~-[(2R)-2,6-dihydroxy- 2-(2-methoxy-2-oxoethyl)-6-methylheptanoyl]cephalotaxine | 0,1,2,3,9,A, B,C,F,J,K,L, M,N,O,Q,R,S, T,U,Y,Z | 3G6E | 0.75 | |
ROL | ROLIPRAM | A,B,C,D | 1OYN | 0.75 | |
| ROL | ROLIPRAM | A,B | 1XMY | 0.75 | |
| ROL | ROLIPRAM | A,B,C,D | 1Q9M | 0.75 | |
| ROL | ROLIPRAM | A,B | 1RO6 | 0.75 | |
| ROL | ROLIPRAM | A,B | 1XN0 | 0.75 | |
| ROL | ROLIPRAM | A,B | 1TBB | 0.75 | |
CHR | NEOCARZINOSTATIN-CHROMOPHORE | A | 1O5P | 0.71 | |
| CHR | NEOCARZINOSTATIN-CHROMOPHORE | A,B | 1NCO | 0.71 | |
NLX | (5A,17R)-4,5-EPOXY-3,14-DIHYDROXY- 17-METHYL-6-OXO-17-(2-PROPENYL)- MORPHINANIUM | A,B,C,D,E,F, G,H,I,J,K,L | 1MX9 | 0.76 | |
DCH | 3-(7-DIAMINOMETHYL-NAPHTHALEN-2- YL)-PROPIONIC ACID ETHYL ESTER | H | 1UVU | 0.73 | |
S2A | A | 2OEY | 0.71 | |