Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01072120
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 |
4HL | 4-(HYDRAZINOMETHYL)PHENOL | A,B | 2E2U | 0.74 |  |
ZHZ | 2-(4-METHOXYPHENYL)ACETAMIDE | D,H | 2HKR | 0.78 | |
4BR | 2-(4-METHYLPHENOXY)ETHYLPHOSPHINATE | A | 1PE7 | 0.72 | |
HV7 | 1-METHYLAMINE-2-HYDROXY-4-METHOXY- BENZENE | C | 1A8G | 0.82 | |
TAX | (Z)-2-[4-(1,2)-DIPHENYL-1-BUTENYL)- PHENOXY]-N,N-DIMETHYLETHANAMINIUM | A | 1FJ5 | 0.71 | |
AEH | 4-(2-aminoethyl)-2-ethylphenol | A | 3BUG | 0.73 | |
DID | 4,4'[1,6-HEXANEDIYLBIS(OXY)]BISBENZENECARBOXIMIDAMIDE | A,B,C,D | 1RPW | 0.75 | |
SFX | (3S)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan- 1-amine | A | 3GWW | 0.73 | |
AL9 | N-[(4-METHOXYPHENYL)METHYL]2,5- THIOPHENEDESULFONAMIDE | A | 1BN4 | 0.81 | |
RFX | (3R)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan- 1-amine | A | 3GWV | 0.73 | |
OTR | 4-(2R-AMINO-1-HYDROXYETHYL)PHENOL | A,B | 1RGT | 0.72 | |
| OTR | 4-(2R-AMINO-1-HYDROXYETHYL)PHENOL | A,B | 1RG2 | 0.72 | |
| OTR | 4-(2R-AMINO-1-HYDROXYETHYL)PHENOL | A,B | 2AN4 | 0.72 | |
PET | 1,5-DI(4-AMIDINOPHENOXY)-3-OXA- PENTANE | B | 166D | 0.74 | |
C4M | N-[(2R,3S)-3-AMINO-2-HYDROXY-4- PHENYLBUTYL]-4-METHOXY-2,3,6-TRIMETHYLBENZENESULFONAMIDE | B,I | 2C93 | 0.7 | |
TNT | 1,3-BIS(AMIDINOPHENOXY)PROPANE | B | 102D | 0.75 | |
| TNT | 1,3-BIS(AMIDINOPHENOXY)PROPANE | A | 1PRP | 0.75 | |
505 | (2R)-1-(2,6-dimethylphenoxy)propan- 2-amine | A | 2VIN | 0.74 | |
ZHH | 2-(4-METHOXYPHENYL)ETHANAMINE | D,H | 2HKR | 0.87 | |
296 | (3R)-3-amino-2,2-difluoro-3-(4- methoxyphenyl)propanoic acid | A,B | 2RJS | 0.76 | |
EUG | 2-METHOXY-4-VINYL-PHENOL | A | 2QU9 | 0.7 | |
| EUG | 2-METHOXY-4-VINYL-PHENOL | A,B | 1QLU | 0.7 | |
| EUG | 2-METHOXY-4-VINYL-PHENOL | A,B | 1W1J | 0.7 | |
| EUG | 2-METHOXY-4-VINYL-PHENOL | A,B | 2VAO | 0.7 | |
| EUG | 2-METHOXY-4-VINYL-PHENOL | A,B | 1W1K | 0.7 | |
| EUG | 2-METHOXY-4-VINYL-PHENOL | A,B | 1DZN | 0.7 | |
| EUG | 2-METHOXY-4-VINYL-PHENOL | A,B | 1W1L | 0.7 | |
| EUG | 2-METHOXY-4-VINYL-PHENOL | A,B | 1W1M | 0.7 | |
MTJ | N,O-DIMETHYL-L-TYROSINE | A,B | 1ATL | 0.72 | |
MSB | 1-METHYLOXY-4-SULFONE-BENZENE | A | 1EUB | 0.71 | |
| MSB | 1-METHYLOXY-4-SULFONE-BENZENE | A | 1BM6 | 0.71 | |
OTS | 4-(2S-AMINO-1-HYDROXYETHYL)PHENOL | A,B | 1RG2 | 0.72 | |
| OTS | 4-(2S-AMINO-1-HYDROXYETHYL)PHENOL | A,B | 1RG1 | 0.72 | |
| OTS | 4-(2S-AMINO-1-HYDROXYETHYL)PHENOL | A,B | 1RH0 | 0.72 | |
| OTS | 4-(2S-AMINO-1-HYDROXYETHYL)PHENOL | A,B | 1RGU | 0.72 | |
| OTS | 4-(2S-AMINO-1-HYDROXYETHYL)PHENOL | A,B | 1RGT | 0.72 | |
STH | 2-AMINO-4H-1,3-BENZOXATHIIN-4-OL | A,B,C,D | 1XKL | 0.71 | |
AEF | 4-(2-aminoethyl)phenol | A | 3BRA | 0.74 | |
AEG | 4-[(2R)-2-aminopropyl]phenol | A | 3BUF | 0.73 | |
LDP | L-DOPAMINE | A,B | 2A3R | 0.71 | |
| LDP | L-DOPAMINE | A | 5PAH | 0.71 | |
| LDP | L-DOPAMINE | A,B | 2QMZ | 0.71 | |
| LDP | L-DOPAMINE | A,B | 2VQ5 | 0.71 | |
MR1 | 1-(1,3-BENZODIOXOL-5-YL)METHANAMINE | A | 2ORQ | 0.8 | |
PZM | 1-(4-METHOXYPHENYL)METHANAMINE | A,D,H | 2HJB | 0.92 | |
EIN | A | 1ZS0 | 0.73 | | |
PNT | 1,5-BIS(4-AMIDINOPHENOXY)PENTANE | X | 3CR4 | 0.74 | |
| PNT | 1,5-BIS(4-AMIDINOPHENOXY)PENTANE | B | 1D64 | 0.74 | |
| PNT | 1,5-BIS(4-AMIDINOPHENOXY)PENTANE | X | 3CR5 | 0.74 | |
| PNT | 1,5-BIS(4-AMIDINOPHENOXY)PENTANE | A,B,D,E | 1RKW | 0.74 | |
FIN | A | 1ZVX | 0.73 | | |
4MP | 1-(4-METHOXYBENZOYL)-2-PYRROLIDINONE | A,B | 2AL5 | 0.7 | |
3MB | 3-METHOXYBENZAMIDE | A | 3PAX | 0.75 | |
TBL | N-[(4-methoxyphenyl)sulfonyl]-D- alanine | A | 3EHY | 0.7 | |