Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02515988
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 |
4NL | 4-AMINOPHENOL | A | 2ORL | 0.74 | |
SAF | 3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOL | A | 1GQR | 0.8 | |
SAF | 3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOL | A | 1GQS | 0.8 | |
NAB | A,B | 1SRJ | 0.72 | ||
NAF | M-(N,N,N-TRIMETHYLAMMONIO)-2,2,2- TRIFLUORO-1,1-DIHYDROXYETHYLBENZENE | A | 1AMN | 0.77 | |
NAF | M-(N,N,N-TRIMETHYLAMMONIO)-2,2,2- TRIFLUORO-1,1-DIHYDROXYETHYLBENZENE | A,B | 2H9Y | 0.77 | |
DES | DIETHYLSTILBESTROL | A,B,C,D | 1S9P | 0.7 | |
DES | DIETHYLSTILBESTROL | A,B | 3ERD | 0.7 | |
DES | DIETHYLSTILBESTROL | A,B | 1TT6 | 0.7 | |
DES | DIETHYLSTILBESTROL | A,B,C,D | 1TZ8 | 0.7 | |
4BG | N-[4-(benzyloxy)phenyl]glycinamide | A | 3CHO | 0.7 | |
GN8 | (Z)-3-BENZYL-5-(2-HYDROXY-3-NITROBENZYLIDENE)- 2-THIOXOTHIAZOLIDIN-4-ONE | A,B,C,D,E,F | 2P6F | 0.71 | |
B11 | N-[3-(4-FLUOROPHENOXY)PHENYL]-4- [(2-HYDROXYBENZYL)AMINO]PIPERIDINE- 1-SULFONAMIDE | A | 1ZZ2 | 0.72 | |
AED | 4-(2-aminoethyl)-2-cyclohexylphenol | A | 3BUH | 0.71 | |
MTB | A,B | 1SRF | 0.77 | ||
MA0 | (1R)-6-HYDROXY-N-METHYL-N-[(1Z)- PROP-2-EN-1-YLIDENE]INDAN-1-AMINIUM | A,B | 2C64 | 0.73 | |
AEJ | (1S)-1-{4-[(9AR)-OCTAHYDRO-2H-PYRIDO[1,2- A]PYRAZIN-2-YL]PHENYL}-2-PHENYL- 1,2,3,4-TETRAHYDROISOQUINOLIN-6- OL | A,B,C,D | 1XQC | 0.73 | |
TY2 | 3-AMINO-L-TYROSINE | A,B | 2VH3 | 0.72 | |
BM4 | 3-[(3R)-3-ethyl-1-{9-[(3S)-3-ethyl- 3-(3-hydroxyphenyl)azepan-1-yl]nonyl}azepan- 3-yl]phenol | X | 2W6C | 0.71 | |
OPB | 4-BUTYL-1-(4-HYDROXYPHENYL)-2-PHENYLPYRAZOLIDINE- 3,5-DIONE | A | 1Q7A | 0.73 | |
OPB | 4-BUTYL-1-(4-HYDROXYPHENYL)-2-PHENYLPYRAZOLIDINE- 3,5-DIONE | A,B | 2BXB | 0.73 | |
OPB | 4-BUTYL-1-(4-HYDROXYPHENYL)-2-PHENYLPYRAZOLIDINE- 3,5-DIONE | A | 2BXO | 0.73 | |
DMC | 3-(4-DIETHYLAMINO-2-HYDROXY-PHENYL)- 2-METHYL-PROPIONIC ACID | G | 4GCH | 0.79 | |
A48 | 4-[(DIMESITYLBORYL)(2,2,2-TRIFLUOROETHYL)AMINO]PHENOL | A,B | 2Q6J | 0.85 | |
AEG | 4-[(2R)-2-aminopropyl]phenol | A | 3BUF | 0.71 | |
ROS | N,N'-TETRAMETHYL-ROSAMINE | A | 1F1T | 0.71 | |
AEH | 4-(2-aminoethyl)-2-ethylphenol | A | 3BUG | 0.7 | |
SOA | ISATOIC ANHYDRIDE | A | 1BIO | 0.71 | |
2TY | 2-HYDROXY-5-{[(1E)-2-PHENYLETHYLIDENE]AMINO}- L-TYROSINE | A,B | 2CWV | 0.71 | |
CZM | 'N,N'-BIS-(2-HYDROXY-3-METHYL-BENZYLIDENE)- BENZENE-1,2-DIAMINE' | A | 1J3F | 0.8 | |
CZM | 'N,N'-BIS-(2-HYDROXY-3-METHYL-BENZYLIDENE)- BENZENE-1,2-DIAMINE' | A | 1UFJ | 0.8 | |
CZM | 'N,N'-BIS-(2-HYDROXY-3-METHYL-BENZYLIDENE)- BENZENE-1,2-DIAMINE' | A | 1V9Q | 0.8 | |
3QC | (4R)-4-(3-HYDROXYPHENYL)-N,N,7,8- TETRAMETHYL-3,4-DIHYDROISOQUINOLINE- 2(1H)-CARBOXAMIDE | A,B | 2FME | 0.7 | |
2AF | 2-AMINOPHENOL | A | 1L4N | 0.7 | |
DMB | A,B | 1SRI | 0.76 | ||
FEN | N-(4-HYDROXYPHENYL)ALL-TRANS RETINAMIDE | A | 1FEL | 0.75 | |
LI6 | 3,4-DIHYDROXY-1-METHYLQUINOLIN- 2(1H)-ONE | A | 1YXV | 0.71 | |
DNT | 2-[1-METHYLHEXYL]-4,6-DINITROPHENOL | A,B,C | 1NEN | 0.73 | |
BRS | 2-[1-(4-CHLORO-PHENYL)-ETHYL]-4,6- DINITRO-PHENOL | A,B,D,M,N,O,P | 1KFY | 0.7 | |
AZY | 3-AZIDO-L-TYROSINE | A | 2YXN | 0.72 | |
NPO | P-NITROPHENOL | A,B | 1Z44 | 0.71 | |
NPO | P-NITROPHENOL | X | 2ZYW | 0.71 | |
NPO | P-NITROPHENOL | H,L | 1YEK | 0.71 | |
NPO | P-NITROPHENOL | A,C,E,G | 43CA | 0.71 | |
NPO | P-NITROPHENOL | A | 1LS6 | 0.71 | |
NPO | P-NITROPHENOL | X | 2ZVP | 0.71 | |
NPO | P-NITROPHENOL | A,B | 2I10 | 0.71 | |
NPO | P-NITROPHENOL | A | 1VAH | 0.71 | |
NPO | P-NITROPHENOL | A,B | 3ETT | 0.71 | |
NPO | P-NITROPHENOL | A,B | 2D20 | 0.71 | |
NPO | P-NITROPHENOL | X | 2ZYV | 0.71 | |
2AC | 2-AMINO-P-CRESOL | H,I | 1A2C | 0.78 | |
2AC | 2-AMINO-P-CRESOL | A | 1L4M | 0.78 | |
TYL | N-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL) | B,C,D | 1TYM | 0.73 | |
TYL | N-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL) | B,C,D | 1TYL | 0.73 | |
TYL | N-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL) | A | 2OCU | 0.73 | |
TYL | N-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL) | A,B,C,D,F | 3DJI | 0.73 | |
TYL | N-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL) | A | 2DPZ | 0.73 | |
4BS | 4-amino-N-[4-(benzyloxy)phenyl]butanamide | A | 3CHR | 0.71 | |
LJ1 | 2,6-dimethyl-4-[(E)-2-phenylethenyl]phenol | A,B | 3CN0 | 0.7 | |
HAB | A,B | 1SRE | 0.76 | ||
EDR | EDROPHONIUM ION | A | 1AX9 | 0.79 | |
EDR | EDROPHONIUM ION | A | 2ACK | 0.79 | |
MHB | A,B | 1SRG | 0.78 | ||
MRE | 2-(4-DIMETHYLAMINOPHENYL)DIAZENYLBENZOIC ACID | A,B | 2V9C | 0.71 | |
NCR | 2-NITRO-P-CRESOL | A,B | 1AHV | 0.73 |