Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03310567
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 |
AED![]() | 4-(2-aminoethyl)-2-cyclohexylphenol | A | 3BUH | 0.79 | ![]() |
2MP![]() | 3,4-DIMETHYLPHENOL | A | 1L5O | 0.72 | ![]() |
OX3![]() | 4-HYDROXYBENZALDEHYDE O-(CYCLOHEXYLCARBONYL)OXIME | A,B,C | 2OOH | 0.76 | ![]() |
AEH![]() | 4-(2-aminoethyl)-2-ethylphenol | A | 3BUG | 0.75 | ![]() |
CZM![]() | 'N,N'-BIS-(2-HYDROXY-3-METHYL-BENZYLIDENE)- BENZENE-1,2-DIAMINE' | A | 1J3F | 0.74 | ![]() |
CZM![]() | 'N,N'-BIS-(2-HYDROXY-3-METHYL-BENZYLIDENE)- BENZENE-1,2-DIAMINE' | A | 1UFJ | 0.74 | ![]() |
CZM![]() | 'N,N'-BIS-(2-HYDROXY-3-METHYL-BENZYLIDENE)- BENZENE-1,2-DIAMINE' | A | 1V9Q | 0.74 | ![]() |
OX5![]() | 4-HYDROXYBENZALDEHYDE O-(3,3-DIMETHYLBUTANOYL)OXIME | A,B,C | 2OOZ | 0.75 | ![]() |
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 | ![]() |
OX4![]() | 3-FLUORO-4-HYDROXYBENZALDEHYDE O- (CYCLOHEXYLCARBONYL)OXIME | A,B,C | 2OOW | 0.74 | ![]() |
R12![]() | 9-(4-HYDROXY-2,6-DIMETHYL-PHENYL)- 3,7-DIMETHYL-NONA-4,6,8-TRIENOIC ACID | A | 3CBS | 0.7 | ![]() |
DES![]() | DIETHYLSTILBESTROL | A,B,C,D | 1S9P | 0.75 | ![]() |
DES![]() | DIETHYLSTILBESTROL | A,B | 3ERD | 0.75 | ![]() |
DES![]() | DIETHYLSTILBESTROL | A,B | 1TT6 | 0.75 | ![]() |
DES![]() | DIETHYLSTILBESTROL | A,B,C,D | 1TZ8 | 0.75 | ![]() |
IPB![]() | 5-METHYL-2-(1-METHYLETHYL)PHENOL | A,B | 1E06 | 0.72 | ![]() |
BPZ![]() | 4,4'-cyclohexane-1,1-diyldiphenol | A | 2ZKC | 0.73 | ![]() |
LJ1![]() | 2,6-dimethyl-4-[(E)-2-phenylethenyl]phenol | A,B | 3CN0 | 0.73 | ![]() |
LYL![]() | 2-ALLYL-6-METHYL-PHENOL | A | 1OV7 | 0.71 | ![]() |
1OH![]() | 4-(1-methyl-1-phenylethyl)phenol | A | 2ZAS | 0.75 | ![]() |
PCR![]() | P-CRESOL | A | 1JHV | 0.72 | ![]() |
PCR![]() | P-CRESOL | A | 1JHU | 0.72 | ![]() |
PCR![]() | P-CRESOL | A,B,C,D | 1DIQ | 0.72 | ![]() |
PFL![]() | 2,6-BIS(1-METHYLETHYL)PHENOL | A,B | 1E7A | 0.73 | ![]() |
RM2![]() | 4-HYDROXY-N-PROPARGYL-1(R)-AMINOINDAN | A,B | 2C66 | 0.78 | ![]() |
ETC![]() | (R,R)-5,11-CIS-DIETHYL-5,6,11,12- TETRAHYDROCHRYSENE-2,8-DIOL | A,B | 1L2I | 0.71 | ![]() |
ETC![]() | (R,R)-5,11-CIS-DIETHYL-5,6,11,12- TETRAHYDROCHRYSENE-2,8-DIOL | A,B | 1L2J | 0.71 | ![]() |
SAF![]() | 3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOL | A | 1GQR | 0.74 | ![]() |
SAF![]() | 3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOL | A | 1GQS | 0.74 | ![]() |
EST![]() | ESTRADIOL | A,B | 1GWR | 0.71 | ![]() |
EST![]() | ESTRADIOL | A | 1FDS | 0.71 | ![]() |
EST![]() | ESTRADIOL | A,B,C | 1G50 | 0.71 | ![]() |
EST![]() | ESTRADIOL | A,B,C,D,E,F | 1ERE | 0.71 | ![]() |
EST![]() | ESTRADIOL | A,B | 1A52 | 0.71 | ![]() |
EST![]() | ESTRADIOL | A | 1FDT | 0.71 | ![]() |
EST![]() | ESTRADIOL | A | 2OCF | 0.71 | ![]() |
EST![]() | ESTRADIOL | A,B,C | 1QKU | 0.71 | ![]() |
EST![]() | ESTRADIOL | A,B,C,D,L | 1E6W | 0.71 | ![]() |
EST![]() | ESTRADIOL | A | 1IOL | 0.71 | ![]() |
EST![]() | ESTRADIOL | H | 1JNN | 0.71 | ![]() |
EST![]() | ESTRADIOL | B | 1QKT | 0.71 | ![]() |
EST![]() | ESTRADIOL | A | 1FDW | 0.71 | ![]() |
EST![]() | ESTRADIOL | A,B | 1AQU | 0.71 | ![]() |
EST![]() | ESTRADIOL | A | 1LHU | 0.71 | ![]() |
EST![]() | ESTRADIOL | A | 1A27 | 0.71 | ![]() |
EST![]() | ESTRADIOL | L | 1JGL | 0.71 | ![]() |
EST![]() | ESTRADIOL | A,B,E,F | 1PCG | 0.71 | ![]() |
EST![]() | ESTRADIOL | A,B,C,D | 1FDU | 0.71 | ![]() |
EST![]() | ESTRADIOL | A | 2J7X | 0.71 | ![]() |
EST![]() | ESTRADIOL | A,B | 2D06 | 0.71 | ![]() |
AEF![]() | 4-(2-aminoethyl)phenol | A | 3BRA | 0.75 | ![]() |
HXS![]() | 4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenol | A,B | 3CV6 | 0.77 | ![]() |
2OH![]() | 4,4'-PROPANE-2,2-DIYLDIPHENOL | A | 2E2R | 0.74 | ![]() |
2OH![]() | 4,4'-PROPANE-2,2-DIYLDIPHENOL | A | 2P7G | 0.74 | ![]() |
MA0![]() | (1R)-6-HYDROXY-N-METHYL-N-[(1Z)- PROP-2-EN-1-YLIDENE]INDAN-1-AMINIUM | A,B | 2C64 | 0.8 | ![]() |
BM4![]() | 3-[(3R)-3-ethyl-1-{9-[(3S)-3-ethyl- 3-(3-hydroxyphenyl)azepan-1-yl]nonyl}azepan- 3-yl]phenol | X | 2W6C | 0.7 | ![]() |
CUS![]() | (N-SALICYLIDEN-L-LEUCINATO)-COPPER(II) | A | 2EB9 | 0.7 | ![]() |
ETY![]() | 4-ethylphenol | A,B,C,D | 2RA6 | 0.73 | ![]() |
2LP![]() | 2-ALLYLPHENOL | A | 1OV5 | 0.7 | ![]() |
AHT![]() | 4-(2,5-DIAMINO-5-HYDROXY-PENTYL)- PHENOL | I,T | 1TMB | 0.74 | ![]() |
555![]() | 4-(4-HYDROXYPHENYL)-1-NAPHTHALDEHYDE OXIME | A,B | 2NV7 | 0.76 | ![]() |
AEG![]() | 4-[(2R)-2-aminopropyl]phenol | A | 3BUF | 0.77 | ![]() |
55E![]() | 4-(4-hydroxy-3-methylphenyl)-6- phenylpyrimidin-2(5H)-one | A | 3DCV | 0.77 | ![]() |