Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03516989
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 |
LY2 | 2-MORPHOLIN-4-YL-7-PHENYL-4H-CHROMEN- 4-ONE | A | 1YI3 | 0.73 | |
LY2 | 2-MORPHOLIN-4-YL-7-PHENYL-4H-CHROMEN- 4-ONE | A | 1E7V | 0.73 | |
R71 | [4-({6-[ALLYL(METHYL)AMINO]HEXYL}OXY)- 2-FLUOROPHENYL](4-BROMOPHENYL)METHANONE | A | 1W6J | 0.75 | |
R71 | [4-({6-[ALLYL(METHYL)AMINO]HEXYL}OXY)- 2-FLUOROPHENYL](4-BROMOPHENYL)METHANONE | A,B,C | 1GSZ | 0.75 | |
HWG | N-(TERT-BUTYL)-3,5-DIMETHYL-N'- [(5-METHYL-2,3-DIHYDRO-1,4-BENZODIOXIN- 6-YL)CARBONYL]BENZOHYDRAZIDE | A,D | 1R20 | 0.76 | |
E20 | 1-BENZYL-4-[(5,6-DIMETHOXY-1-INDANON- 2-YL)METHYL]PIPERIDINE | A | 1EVE | 0.89 | |
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 | 0.7 | |
R02 | {4-[((1S,2S)-2-{[ALLYL(CYCLOPROPYL)AMINO]METHYL}CYCLOPROPYL)METHOXY]PHENYL}(4- BROMOPHENYL)METHANONE | A,B,C | 1H37 | 0.73 | |
DEO | A,B | 1ROS | 0.72 | ||
CIO | CILOMILAST | A,B | 1XOM | 0.7 | |
CIO | CILOMILAST | A,B | 1XLX | 0.7 | |
4SR | (4S)-4-[3-(CYCLOPENTYLOXY)-4-METHOXYPHENYL]PYRROLIDIN- 2-ONE | A,B | 1XN0 | 0.75 | |
C41 | ALISKIREN | C,O | 2V0Z | 0.71 | |
SB8 | 2-(3-BENZOYLPHENOXY)ETHYL(HYDROXY)FORMAMIDE | A | 2AIA | 0.73 | |
C61 | (2R,4S,5S,7S)-5-AMINO-N-BUTYL-4- HYDROXY-7-[4-METHOXY-3-(3-METHOXYPROPOXY)BENZYL]- 2,8-DIMETHYLNONANAMIDE | C,O | 2V10 | 0.71 | |
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 | |
LLB | [6-hydroxy-2-(4-hydroxyphenyl)- 1-benzothien-3-yl]{4-[2-(4-methylpiperidin- 1-yl)ethoxy]phenyl}methanone | A,B | 2R6W | 0.71 | |
CX6 | 2,3,6A,7,8,9-HEXAHYDRO-11H-[1,4]DIOXINO[2,3- G]PYRROLO[2,1-B][1,3]BENZOXAZIN- 11-ONE | A,B,C,D,E,F | 2AL4 | 0.74 | |
R88 | (4-BROMOPHENYL)[4-({(2E)-4-[CYCLOPROPYL(METHYL)AMINO]BUT- 2-ENYL}OXY)PHENYL]METHANONE | A,B,C | 1H36 | 0.73 | |
RAL | RALOXIFENE | A,B | 2JFA | 0.71 | |
RAL | RALOXIFENE | A,B | 1ERR | 0.71 | |
RAL | RALOXIFENE | A,B | 2QXS | 0.71 | |
RAL | RALOXIFENE | A | 1QKN | 0.71 | |
LZP | 4,4'-piperazine-1,4-diylbis{1-[3- (benzyloxy)phenyl]-4-oxobutane- 1,3-dione} | A | 3EAX | 0.73 |