Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01073265
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 |
DNT | 2-[1-METHYLHEXYL]-4,6-DINITROPHENOL | A,B,C | 1NEN | 0.71 | |
2AF | 2-AMINOPHENOL | A | 1L4N | 0.71 | |
NCR | 2-NITRO-P-CRESOL | A,B | 1AHV | 0.76 | |
NPO | P-NITROPHENOL | A,B | 1Z44 | 0.74 | |
NPO | P-NITROPHENOL | X | 2ZYW | 0.74 | |
NPO | P-NITROPHENOL | H,L | 1YEK | 0.74 | |
NPO | P-NITROPHENOL | A,C,E,G | 43CA | 0.74 | |
NPO | P-NITROPHENOL | A | 1LS6 | 0.74 | |
NPO | P-NITROPHENOL | X | 2ZVP | 0.74 | |
NPO | P-NITROPHENOL | A,B | 2I10 | 0.74 | |
NPO | P-NITROPHENOL | A | 1VAH | 0.74 | |
NPO | P-NITROPHENOL | A,B | 3ETT | 0.74 | |
NPO | P-NITROPHENOL | A,B | 2D20 | 0.74 | |
NPO | P-NITROPHENOL | X | 2ZYV | 0.74 | |
2TY | 2-HYDROXY-5-{[(1E)-2-PHENYLETHYLIDENE]AMINO}- L-TYROSINE | A,B | 2CWV | 0.72 | |
YOM | 2,2'-[1,2-PHENYLENEBIS(NITRILOMETHYLIDYNE)]BIS[PHENOLATO]](2- )-N,N',O,O']-IRON | A,B | 1WZG | 0.77 | |
4NL | 4-AMINOPHENOL | A | 2ORL | 0.72 | |
555 | 4-(4-HYDROXYPHENYL)-1-NAPHTHALDEHYDE OXIME | A,B | 2NV7 | 0.72 | |
MA0 | (1R)-6-HYDROXY-N-METHYL-N-[(1Z)- PROP-2-EN-1-YLIDENE]INDAN-1-AMINIUM | A,B | 2C64 | 0.72 | |
HAB | A,B | 1SRE | 0.72 | ||
A48 | 4-[(DIMESITYLBORYL)(2,2,2-TRIFLUOROETHYL)AMINO]PHENOL | A,B | 2Q6J | 0.74 | |
NIY | META-NITRO-TYROSINE | A | 2ADP | 0.7 | |
NIY | META-NITRO-TYROSINE | A | 3DIV | 0.7 | |
NIY | META-NITRO-TYROSINE | A | 2H5U | 0.7 | |
NIY | META-NITRO-TYROSINE | A | 1K4Q | 0.7 | |
NIY | META-NITRO-TYROSINE | B,G,O,Y | 1SDA | 0.7 | |
MHB | A,B | 1SRG | 0.71 | ||
TY2 | 3-AMINO-L-TYROSINE | A,B | 2VH3 | 0.71 | |
135 | N-(4-CARBAMIMIDOYL-PHENYL)-2-HYDROXY- BENZAMIDE | B | 1GJA | 0.71 | |
LI7 | (3E)-3-[(4-HYDROXYPHENYL)IMINO]- 1H-INDOL-2(3H)-ONE | A | 1YXX | 0.71 | |
2AC | 2-AMINO-P-CRESOL | H,I | 1A2C | 0.75 | |
2AC | 2-AMINO-P-CRESOL | A | 1L4M | 0.75 | |
AED | 4-(2-aminoethyl)-2-cyclohexylphenol | A | 3BUH | 0.7 | |
OX4 | 3-FLUORO-4-HYDROXYBENZALDEHYDE O- (CYCLOHEXYLCARBONYL)OXIME | A,B,C | 2OOW | 0.71 | |
BPN | PARANITROBENZYL ALCOHOL | H,L | 1YEG | 0.71 | |
RPN | (R)-1-PARA-NITRO-PHENYL-2-AZIDO- ETHANOL | A,B,C,D | 1PX0 | 0.71 | |
RPN | (R)-1-PARA-NITRO-PHENYL-2-AZIDO- ETHANOL | A,B,C,D | 2ZHM | 0.71 | |
RPN | (R)-1-PARA-NITRO-PHENYL-2-AZIDO- ETHANOL | A | 2ZHN | 0.71 | |
HQO | 2-HEPTYL-4-HYDROXY QUINOLINE N- OXIDE | A,B,C | 1KQG | 0.73 | |
HQO | 2-HEPTYL-4-HYDROXY QUINOLINE N- OXIDE | A,B,C,D,E,F | 2VR0 | 0.73 | |
HQO | 2-HEPTYL-4-HYDROXY QUINOLINE N- OXIDE | A,B,C,M,N,O,P | 1KF6 | 0.73 | |
OX3 | 4-HYDROXYBENZALDEHYDE O-(CYCLOHEXYLCARBONYL)OXIME | A,B,C | 2OOH | 0.73 | |
AEG | 4-[(2R)-2-aminopropyl]phenol | A | 3BUF | 0.7 | |
DMC | 3-(4-DIETHYLAMINO-2-HYDROXY-PHENYL)- 2-METHYL-PROPIONIC ACID | G | 4GCH | 0.72 | |
CZM | 'N,N'-BIS-(2-HYDROXY-3-METHYL-BENZYLIDENE)- BENZENE-1,2-DIAMINE' | A | 1J3F | 0.88 | |
CZM | 'N,N'-BIS-(2-HYDROXY-3-METHYL-BENZYLIDENE)- BENZENE-1,2-DIAMINE' | A | 1UFJ | 0.88 | |
CZM | 'N,N'-BIS-(2-HYDROXY-3-METHYL-BENZYLIDENE)- BENZENE-1,2-DIAMINE' | A | 1V9Q | 0.88 | |
YOK | [[2,2'-[4-CARBOXYETHYL-1,2-PHENYLENEBIS(NITRILOMETHYLIDYNE)]BIS[PHENOLATO]](2- )-N,N',O,O']-IRON | A,B | 1WZD | 0.71 | |
RM2 | 4-HYDROXY-N-PROPARGYL-1(R)-AMINOINDAN | A,B | 2C66 | 0.75 | |
SAF | 3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOL | A | 1GQR | 0.72 | |
SAF | 3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOL | A | 1GQS | 0.72 | |
QNO | 2-NONYL-4-HYDROXYQUINOLINE N-OXIDE | C,D,E | 1NU1 | 0.73 | |
QNO | 2-NONYL-4-HYDROXYQUINOLINE N-OXIDE | A,B,C,D,G | 2E75 | 0.73 | |
AZY | 3-AZIDO-L-TYROSINE | A | 2YXN | 0.7 | |
OX5 | 4-HYDROXYBENZALDEHYDE O-(3,3-DIMETHYLBUTANOYL)OXIME | A,B,C | 2OOZ | 0.71 | |
TIL | [2-[5-CARBOXYETHYL-2-PHENOLATO(NITRILOMETHYLIDYNE)][PHENOLATO]]CHROMIUM(III) | A,B | 2Z68 | 0.74 | |
SOA | ISATOIC ANHYDRIDE | A | 1BIO | 0.7 | |
55E | 4-(4-hydroxy-3-methylphenyl)-6- phenylpyrimidin-2(5H)-one | A | 3DCV | 0.72 |