Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00533715
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 |
AAA | (2-ACETYL-5-METHYLANILINO)(2,6- DIBROMOPHENYL)ACETAMIDE | A | 1HNI | 0.8 |  |
SX5 | 4-[(4-bromo-2-{[(3R,5S)-3,5-dimethylpiperidin- 1-yl]carbonyl}phenyl)amino]-4-oxobutanoic acid | A,B | 3CJ4 | 0.77 | |
SX3 | 4-bromo-2-{[(3R,5S)-3,5-dimethylpiperidin- 1-yl]carbonyl}aniline | A,B | 3CJ2 | 0.71 | |
MU1 | N~2~-ACETYL-N-[(1S,3S,4S)-4-({[(5S)- 3-(3-ACETYLPHENYL)-2-OXO-1,3-OXAZOLIDIN- 5-YL]CARBONYL}AMINO)-1-BENZYL-3- HYDROXY-5-PHENYLPENTYL]-L-VALINAMIDE | A,B | 2Q54 | 0.7 | |
SX1 | 2-amino-5-bromobenzoic acid | A,B | 3CIZ | 0.71 | |
LJ5 | N-(3,5-dibromo-4-hydroxyphenyl)benzamide | A,B | 3CN4 | 0.71 | |
FLF | 2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACID | A,B | 1BM7 | 0.71 | |
| FLF | 2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACID | A | 1S2C | 0.71 | |
| FLF | 2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACID | A | 2PIX | 0.71 | |
BRY | A | 2BHE | 0.77 | | |
3B4 | 2-(cyclohexylamino)benzoic acid | A,B | 3B4P | 0.75 | |
KYN | KYNURENINE | A,B,C,D | 2R2N | 0.78 | |
| KYN | KYNURENINE | A,B | 3E2Z | 0.78 | |
| KYN | KYNURENINE | A | 1XT7 | 0.78 | |
| KYN | KYNURENINE | A | 1T5M | 0.78 | |
| KYN | KYNURENINE | A | 1T5N | 0.78 | |
| KYN | KYNURENINE | A | 2VOV | 0.78 | |
| KYN | KYNURENINE | A | 2VOX | 0.78 | |
SX6 | N-(4-bromo-2-{[(3R,5S)-3,5-dimethylpiperidin- 1-yl]carbonyl}phenyl)-4-morpholin- 4-yl-4-oxobutanamide | A,B | 3CJ5 | 0.73 | |
KAF | N-{(5S)-4,4-dihydroxy-6-phenyl- 5-[(phenylcarbonyl)amino]hexanoyl}- L-phenylalanine | A | 3BKK | 0.72 | |
OFL | O-TRIFLUOROMETHYLPHENYL ANTHRANILIC ACID | A | 1DVZ | 0.71 | |
NNB | O-[2-(1,3-dioxo-1,3-dihydro-2H- isoindol-2-yl)ethyl] (4-bromophenyl)thiocarbamate | A | 2VG6 | 0.74 | |
446 | 4-[(4-{[6-bromo-3-(methoxycarbonyl)- 1-oxo-4-phenylisoquinolin-2(1H)- yl]methyl}phenyl)amino]-4-oxobutanoic acid | A | 2ZDU | 0.73 | |
AAP | ALPHA-(2,6-DICHLOROPHENYL)-ALPHA- (2-ACETYL-5-METHYLANILINO)ACETAMIDE | A | 1VRU | 0.7 | |
| AAP | ALPHA-(2,6-DICHLOROPHENYL)-ALPHA- (2-ACETYL-5-METHYLANILINO)ACETAMIDE | A | 1HPZ | 0.7 | |
575 | (4Z)-6-bromo-4-({[4-(pyrrolidin- 1-ylmethyl)phenyl]amino}methylidene)isoquinoline- 1,3(2H,4H)-dione | A,B,C,D | 2ZM3 | 0.72 | |
PBF | PARA-(BENZOYL)-PHENYLALANINE | A | 2FR9 | 0.7 | |
| PBF | PARA-(BENZOYL)-PHENYLALANINE | A,B | 1EEN | 0.7 | |
| PBF | PARA-(BENZOYL)-PHENYLALANINE | A | 2HGZ | 0.7 | |
| PBF | PARA-(BENZOYL)-PHENYLALANINE | A | 2FRB | 0.7 | |
OBA | 2-(OXALYL-AMINO)-BENZOIC ACID | A | 1C85 | 0.71 | |
KY1 | 4-(2-AMINOPHENYL)-4-OXOBUTANOIC ACID | A,B,C,D | 2CH2 | 0.74 | |