Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00796466
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 |
555 | 4-(4-HYDROXYPHENYL)-1-NAPHTHALDEHYDE OXIME | A,B | 2NV7 | 0.74 | |
AED | 4-(2-aminoethyl)-2-cyclohexylphenol | A | 3BUH | 0.76 | |
108 | 2-(5-CARBAMIMIDOYL-2-HYDROXY-BENZYLAMINO)- PROPIONIC ACID | A | 1G3B | 0.72 | |
108 | 2-(5-CARBAMIMIDOYL-2-HYDROXY-BENZYLAMINO)- PROPIONIC ACID | A | 1G3D | 0.72 | |
8PP | 2-[(2E,6E,10E,14E,18E,22E,26E)- 3,7,11,15,19,23,27,31-OCTAMETHYLDOTRIACONTA- 2,6,10,14,18,22,26,30-OCTAENYL]PHENOL | A,B,C,D | 1Y0G | 0.72 | |
EPT | HEPTANYL-P-PHENOL | A,B | 1AHZ | 0.75 | |
55E | 4-(4-hydroxy-3-methylphenyl)-6- phenylpyrimidin-2(5H)-one | A | 3DCV | 0.76 | |
AEG | 4-[(2R)-2-aminopropyl]phenol | A | 3BUF | 0.76 | |
EYK | 2-tert-butylbenzene-1,4-diol | D,F | 3EYM | 0.7 | |
EYK | 2-tert-butylbenzene-1,4-diol | B | 3EYK | 0.7 | |
4HL | 4-(HYDRAZINOMETHYL)PHENOL | A,B | 2E2U | 0.72 | |
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 | |
AEF | 4-(2-aminoethyl)phenol | A | 3BRA | 0.76 | |
IPB | 5-METHYL-2-(1-METHYLETHYL)PHENOL | A,B | 1E06 | 0.72 | |
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 | |
LYL | 2-ALLYL-6-METHYL-PHENOL | A | 1OV7 | 0.76 | |
DES | DIETHYLSTILBESTROL | A,B,C,D | 1S9P | 0.71 | |
DES | DIETHYLSTILBESTROL | A,B | 3ERD | 0.71 | |
DES | DIETHYLSTILBESTROL | A,B | 1TT6 | 0.71 | |
DES | DIETHYLSTILBESTROL | A,B,C,D | 1TZ8 | 0.71 | |
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 | |
OX4 | 3-FLUORO-4-HYDROXYBENZALDEHYDE O- (CYCLOHEXYLCARBONYL)OXIME | A,B,C | 2OOW | 0.71 | |
2LP | 2-ALLYLPHENOL | A | 1OV5 | 0.74 | |
LJ1 | 2,6-dimethyl-4-[(E)-2-phenylethenyl]phenol | A,B | 3CN0 | 0.74 | |
2MP | 3,4-DIMETHYLPHENOL | A | 1L5O | 0.71 | |
PFL | 2,6-BIS(1-METHYLETHYL)PHENOL | A,B | 1E7A | 0.74 | |
AEH | 4-(2-aminoethyl)-2-ethylphenol | A | 3BUG | 0.8 | |
1OH | 4-(1-methyl-1-phenylethyl)phenol | A | 2ZAS | 0.7 | |
OX3 | 4-HYDROXYBENZALDEHYDE O-(CYCLOHEXYLCARBONYL)OXIME | A,B,C | 2OOH | 0.73 | |
PCR | P-CRESOL | A | 1JHV | 0.74 | |
PCR | P-CRESOL | A | 1JHU | 0.74 | |
PCR | P-CRESOL | A,B,C,D | 1DIQ | 0.74 | |
ETY | 4-ethylphenol | A,B,C,D | 2RA6 | 0.74 | |
SGI | 3-(4-hydroxyphenyl)propanamide | A,B | 2R9K | 0.7 | |
AHT | 4-(2,5-DIAMINO-5-HYDROXY-PENTYL)- PHENOL | I,T | 1TMB | 0.73 | |
OX5 | 4-HYDROXYBENZALDEHYDE O-(3,3-DIMETHYLBUTANOYL)OXIME | A,B,C | 2OOZ | 0.76 | |
CRS | M-CRESOL | A,B,C,D | 1EV3 | 0.71 | |
CRS | M-CRESOL | A,B,C,D,E,F | 2OMG | 0.71 | |
CRS | M-CRESOL | A,B | 1UZ9 | 0.71 | |
CRS | M-CRESOL | A,B,C,D | 1ZEH | 0.71 | |
CRS | M-CRESOL | A,B,C,D,E,F | 1ZEI | 0.71 | |
CRS | M-CRESOL | A,C,D,E | 7INS | 0.71 | |
CRS | M-CRESOL | A,B,C,D,E,G, I,K | 1EV6 | 0.71 |