Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02320747
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 |
4HM![]() | 4-HYDROPEROXY-2-METHOXY-PHENOL | A | 1HU9 | 0.8 | ![]() |
4HC![]() | 4-HYDROXY-2H-CHROMEN-2-ONE | A,B | 1V5Y | 0.76 | ![]() |
NOA![]() | NAPHTHYLOXYACETIC ACID | A,B,I | 1HIV | 0.71 | ![]() |
NOA![]() | NAPHTHYLOXYACETIC ACID | I | 1IVP | 0.71 | ![]() |
TCL![]() | TRICLOSAN | A,B,C,D | 2PD3 | 0.76 | ![]() |
TCL![]() | TRICLOSAN | A,B | 1P45 | 0.76 | ![]() |
TCL![]() | TRICLOSAN | A,B,C,D,E,F | 2B35 | 0.76 | ![]() |
TCL![]() | TRICLOSAN | A,B | 1D8A | 0.76 | ![]() |
TCL![]() | TRICLOSAN | A,B | 1C14 | 0.76 | ![]() |
TCL![]() | TRICLOSAN | A,B,C,D | 2QIO | 0.76 | ![]() |
TCL![]() | TRICLOSAN | A,B | 1NHG | 0.76 | ![]() |
TCL![]() | TRICLOSAN | A | 1D7O | 0.76 | ![]() |
TCL![]() | TRICLOSAN | A,B,C,D | 2O2Y | 0.76 | ![]() |
TCL![]() | TRICLOSAN | A,B | 1UH5 | 0.76 | ![]() |
TCL![]() | TRICLOSAN | A,B | 2O2S | 0.76 | ![]() |
TCL![]() | TRICLOSAN | A,B,C,D | 1QG6 | 0.76 | ![]() |
TCL![]() | TRICLOSAN | A,B,C,D,E,F, G,H | 1QSG | 0.76 | ![]() |
TTO![]() | (3,4-DIHYDROXY-PHENYL)-TRIPHENYL- ARSONIUM | A | 1HYZ | 0.71 | ![]() |
VXX![]() | VANILLATE | A,B | 1WB6 | 0.72 | ![]() |
5PP![]() | 5-PENTYL-2-PHENOXYPHENOL | A,B,C,D,E,F | 2B36 | 0.79 | ![]() |
258![]() | (2-chloroethoxy)benzene | X | 2RAY | 0.73 | ![]() |
8PS![]() | 5-OCTYL-2-PHENOXYPHENOL | A,B,C,D,E,F | 2B37 | 0.79 | ![]() |
INK![]() | (RP,SP)-O-(2R)-(1-PHENOXYBUT-2- YL)-METHYLPHOSPHONIC ACID CHLORIDE | A | 1HQD | 0.74 | ![]() |
SXX![]() | SINAPINATE | A,B | 1WB4 | 0.78 | ![]() |
8CM![]() | 8-HYDROXYCOUMARIN | A | 2H8Z | 0.82 | ![]() |
4HY![]() | [4-(4-HYDROXY-3-IODO-PHENOXY)-3,5- DIIODO-PHENYL]-ACETIC ACID | A | 2PIT | 0.71 | ![]() |
4HY![]() | [4-(4-HYDROXY-3-IODO-PHENOXY)-3,5- DIIODO-PHENYL]-ACETIC ACID | A | 1NQ1 | 0.71 | ![]() |
4HY![]() | [4-(4-HYDROXY-3-IODO-PHENOXY)-3,5- DIIODO-PHENYL]-ACETIC ACID | A | 2PIU | 0.71 | ![]() |
4HY![]() | [4-(4-HYDROXY-3-IODO-PHENOXY)-3,5- DIIODO-PHENYL]-ACETIC ACID | A | 2PKL | 0.71 | ![]() |
4HY![]() | [4-(4-HYDROXY-3-IODO-PHENOXY)-3,5- DIIODO-PHENYL]-ACETIC ACID | A,B | 3D57 | 0.71 | ![]() |
4HY![]() | [4-(4-HYDROXY-3-IODO-PHENOXY)-3,5- DIIODO-PHENYL]-ACETIC ACID | A | 1NQ2 | 0.71 | ![]() |
4HY![]() | [4-(4-HYDROXY-3-IODO-PHENOXY)-3,5- DIIODO-PHENYL]-ACETIC ACID | A | 2QPY | 0.71 | ![]() |
4HY![]() | [4-(4-HYDROXY-3-IODO-PHENOXY)-3,5- DIIODO-PHENYL]-ACETIC ACID | A | 1NQ0 | 0.71 | ![]() |
4HY![]() | [4-(4-HYDROXY-3-IODO-PHENOXY)-3,5- DIIODO-PHENYL]-ACETIC ACID | A | 1NUO | 0.71 | ![]() |
4HY![]() | [4-(4-HYDROXY-3-IODO-PHENOXY)-3,5- DIIODO-PHENYL]-ACETIC ACID | A,B | 2PIN | 0.71 | ![]() |
DHC![]() | CAFFEIC ACID | A,B,C,D,E,F, G,H | 2O7D | 0.74 | ![]() |
DHC![]() | CAFFEIC ACID | A | 1KOU | 0.74 | ![]() |
261![]() | 2-ethoxyphenol | X | 2RB1 | 0.92 | ![]() |
HFL![]() | 5-(3,3-DIHYDROXYPROPENY)-3-METHOXY- BENZENE-1,2-DIOL | C,F | 1KYW | 0.74 | ![]() |
TON![]() | 2-{2-[4-(1,1,3,3-TETRAMETHYLBUTYL)PHENOXY]ETHOXY}ETHANOL | A,B | 1SEZ | 0.72 | ![]() |
FER![]() | 3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID | A,C,E | 1KYZ | 0.83 | ![]() |
FER![]() | 3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID | A | 1JT2 | 0.83 | ![]() |
FER![]() | 3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID | A | 6ATJ | 0.83 | ![]() |
FER![]() | 3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID | A,B | 1GKL | 0.83 | ![]() |
FER![]() | 3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID | A | 1GWT | 0.83 | ![]() |
FER![]() | 3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID | A,B,C | 2BJH | 0.83 | ![]() |
FER![]() | 3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID | A | 1GW2 | 0.83 | ![]() |
FER![]() | 3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID | A | 3CBG | 0.83 | ![]() |
FER![]() | 3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID | A | 2BNJ | 0.83 | ![]() |
FER![]() | 3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID | A,B | 1UWC | 0.83 | ![]() |
FER![]() | 3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID | A | 7ATJ | 0.83 | ![]() |
TOM![]() | 4-(2-METHOXYPHENYL)-2-OXOBUT-3- ENOIC ACID | A | 2IMF | 0.73 | ![]() |
MPP![]() | 3-(3,4-DIMETHOXYPHENYL)PROPIONIC ACID | A,B | 2AY3 | 0.77 | ![]() |
G24![]() | [4-(3-BENZYL-4-HYDROXYBENZYL)-3,5- DIMETHYLPHENOXY]ACETIC ACID | A | 1Q4X | 0.72 | ![]() |
EMF![]() | ethyl (1S,2S)-2-(4-hydroxy-3-methoxyphenyl)cyclopropanecarboxylate | A,B | 2QZZ | 0.76 | ![]() |
EMF![]() | ethyl (1S,2S)-2-(4-hydroxy-3-methoxyphenyl)cyclopropanecarboxylate | A,B | 2R2G | 0.76 | ![]() |
AI7![]() | 3-(heptyloxy)benzoic acid | A,B | 2O3Z | 0.71 | ![]() |
VNL![]() | 4-HYDROXY-3-METHOXYBENZOATE | A,B,C,D | 2AHC | 0.72 | ![]() |
VNL![]() | 4-HYDROXY-3-METHOXYBENZOATE | A | 1XLR | 0.72 | ![]() |
CFA![]() | (2,4-DICHLOROPHENOXY)ACETIC ACID | B,E | 2P1N | 0.74 | ![]() |
4FE![]() | (2E)-3-(3-hydroxy-4-methoxyphenyl)prop- 2-enoic acid | A | 3CBG | 0.83 | ![]() |
GRR![]() | (2S)-2-(4-ethylphenoxy)-3-phenylpropanoic acid | A | 3CDS | 0.73 | ![]() |
KOM![]() | 7,8-dihydroxy-4-phenyl-2H-chromen- 2-one | A | 2ZVJ | 0.75 | ![]() |
MCT![]() | 4-METHYLCATECHOL | A | 1L4G | 0.72 | ![]() |
MCT![]() | 4-METHYLCATECHOL | A | 2EHZ | 0.72 | ![]() |
MCT![]() | 4-METHYLCATECHOL | A,B | 1DMH | 0.72 | ![]() |
FX3![]() | 5-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop- 2-enoyl]-alpha-L-ribofuranose | A | 2VGD | 0.74 | ![]() |
HC4![]() | A | 1TS6 | 0.71 | ![]() | |
HC4![]() | A | 3PHY | 0.71 | ![]() | |
HC4![]() | A | 3PYP | 0.71 | ![]() | |
HC4![]() | A | 1T1C | 0.71 | ![]() | |
HC4![]() | A | 1OT6 | 0.71 | ![]() | |
HC4![]() | A | 1TS0 | 0.71 | ![]() | |
HC4![]() | A | 1T1A | 0.71 | ![]() | |
HC4![]() | A | 2PYP | 0.71 | ![]() | |
HC4![]() | A | 2ZOI | 0.71 | ![]() | |
HC4![]() | A | 1OTI | 0.71 | ![]() | |
HC4![]() | A | 1XFQ | 0.71 | ![]() | |
HC4![]() | A | 2D01 | 0.71 | ![]() | |
HC4![]() | A,B,C,D,E,F, G,H | 2O7B | 0.71 | ![]() | |
HC4![]() | A | 2ZOH | 0.71 | ![]() | |
HC4![]() | A | 1GSW | 0.71 | ![]() | |
HC4![]() | A | 2QJ7 | 0.71 | ![]() | |
HC4![]() | A | 1F9I | 0.71 | ![]() | |
HC4![]() | X | 1UWP | 0.71 | ![]() | |
HC4![]() | A | 2PHY | 0.71 | ![]() | |
HC4![]() | A | 1T1B | 0.71 | ![]() | |
HC4![]() | A | 1F98 | 0.71 | ![]() | |
HC4![]() | A | 1T19 | 0.71 | ![]() | |
HC4![]() | X | 1UWN | 0.71 | ![]() | |
HC4![]() | A,B,C,D,E,F, G,H | 2O7F | 0.71 | ![]() | |
HC4![]() | A | 1UGU | 0.71 | ![]() | |
HC4![]() | A | 1TS8 | 0.71 | ![]() | |
HC4![]() | A,B | 1OTD | 0.71 | ![]() | |
HC4![]() | A | 1OTE | 0.71 | ![]() | |
HC4![]() | A | 1GSX | 0.71 | ![]() | |
HC4![]() | A | 1TS7 | 0.71 | ![]() | |
HC4![]() | A | 2PYR | 0.71 | ![]() | |
HC4![]() | A | 1S4S | 0.71 | ![]() | |
HC4![]() | A | 1GSV | 0.71 | ![]() | |
HC4![]() | A | 2I9V | 0.71 | ![]() | |
HC4![]() | A | 2QWS | 0.71 | ![]() | |
HC4![]() | A | 1XFN | 0.71 | ![]() | |
HC4![]() | A | 1S4R | 0.71 | ![]() | |
HC4![]() | A | 1T18 | 0.71 | ![]() | |
HC4![]() | A | 1OTA | 0.71 | ![]() | |
HC4![]() | A | 1D7E | 0.71 | ![]() | |
HC4![]() | A | 1S1Z | 0.71 | ![]() | |
HC4![]() | A,B,C | 1MZU | 0.71 | ![]() | |
HC4![]() | A,B | 1ODV | 0.71 | ![]() | |
HC4![]() | A,B | 2J3J | 0.71 | ![]() | |
HC4![]() | A | 2QJ5 | 0.71 | ![]() | |
HC4![]() | A | 1OTB | 0.71 | ![]() | |
HC4![]() | A | 2D02 | 0.71 | ![]() | |
HC4![]() | A | 1OT9 | 0.71 | ![]() | |
HC4![]() | A | 1NWZ | 0.71 | ![]() | |
HC4![]() | A | 1S1Y | 0.71 | ![]() | |
DCN![]() | DICLOSAN | A,B,C,D | 2PD4 | 0.8 | ![]() |
D1L![]() | 2-[4-(2,4-DICHLOROPHENOXY)PHENOXY]PROPANOIC ACID | A,B | 1UYR | 0.71 | ![]() |
V55![]() | 4-hydroxy-3-methoxybenzaldehyde | B,D,E,F | 2VSS | 0.72 | ![]() |
V55![]() | 4-hydroxy-3-methoxybenzaldehyde | A,B,D,E,F | 2VSU | 0.72 | ![]() |
IPH![]() | PHENOL | A,B | 2OLD | 0.71 | ![]() |
IPH![]() | PHENOL | A,B,C,D | 2PZV | 0.71 | ![]() |
IPH![]() | PHENOL | A | 1LI2 | 0.71 | ![]() |
IPH![]() | PHENOL | A | 2J9N | 0.71 | ![]() |
IPH![]() | PHENOL | A,B,C,D | 2OMB | 0.71 | ![]() |
IPH![]() | PHENOL | A | 1JHX | 0.71 | ![]() |
IPH![]() | PHENOL | A,B,C,D | 2VE7 | 0.71 | ![]() |
IPH![]() | PHENOL | B,D,E,G,H,J,L | 1AI0 | 0.71 | ![]() |
IPH![]() | PHENOL | A,B,C,D | 1FOH | 0.71 | ![]() |
IPH![]() | PHENOL | A | 1V03 | 0.71 | ![]() |
IPH![]() | PHENOL | A,C,E,G,I,K | 5AIY | 0.71 | ![]() |
IPH![]() | PHENOL | B,D,F,H,J,L | 1AIY | 0.71 | ![]() |
IPH![]() | PHENOL | A,B | 1XU5 | 0.71 | ![]() |
IPH![]() | PHENOL | A,B,C,D,E,G, I,K | 1W8P | 0.71 | ![]() |
IPH![]() | PHENOL | A,C,E,G,I,K | 4AIY | 0.71 | ![]() |
IPH![]() | PHENOL | A,B,C,D,E,F, G,H | 1XDA | 0.71 | ![]() |
IPH![]() | PHENOL | A | 2AS3 | 0.71 | ![]() |
IPH![]() | PHENOL | A,B,C,D | 1ZEG | 0.71 | ![]() |
IPH![]() | PHENOL | A,B,C,D | 1PN0 | 0.71 | ![]() |
IPH![]() | PHENOL | A,B,C,D | 1XW7 | 0.71 | ![]() |
IPH![]() | PHENOL | A,C,E,G,I,K,M | 1QIY | 0.71 | ![]() |
IPH![]() | PHENOL | A,B,C,D | 1Q4V | 0.71 | ![]() |
IPH![]() | PHENOL | B | 1AI7 | 0.71 | ![]() |
IPH![]() | PHENOL | A | 1FJW | 0.71 | ![]() |
IPH![]() | PHENOL | B,C,D | 1RWE | 0.71 | ![]() |
IPH![]() | PHENOL | A,B,C,D,E,G, H,I,K | 1ZNJ | 0.71 | ![]() |
IPH![]() | PHENOL | B,C,D | 3GKY | 0.71 | ![]() |
IPH![]() | PHENOL | A | 1JHY | 0.71 | ![]() |
IPH![]() | PHENOL | A,C,E,G,I,K | 3AIY | 0.71 | ![]() |
IPH![]() | PHENOL | A,B | 2OMN | 0.71 | ![]() |
IPH![]() | PHENOL | A,C,E,G,I,K | 2AIY | 0.71 | ![]() |
IPH![]() | PHENOL | A,B,D | 1MPJ | 0.71 | ![]() |
IPH![]() | PHENOL | A,B,C,D,F,G, H,J | 1WAV | 0.71 | ![]() |
IPH![]() | PHENOL | B,C,D | 1LPH | 0.71 | ![]() |
YZ9![]() | 7-HYDROXY-2-OXO-CHROMENE-3-CARBOXYLIC ACID ETHYL ESTER | A,B,C | 1GCZ | 0.7 | ![]() |
COU![]() | COUMARIN | A | 3CRB | 0.73 | ![]() |
COU![]() | COUMARIN | A | 2PMJ | 0.73 | ![]() |
COU![]() | COUMARIN | A | 2H90 | 0.73 | ![]() |
COU![]() | COUMARIN | A,B,C,D | 1Z10 | 0.73 | ![]() |
COU![]() | COUMARIN | A | 2PWB | 0.73 | ![]() |
3FA![]() | 3-FLUOROBENZENE-1,2-DIOL | A | 2AS4 | 0.75 | ![]() |
DBA![]() | (2,6-DIMETHYL-PHENOXY)-ACETIC ACID | A,B | 1IDB | 0.78 | ![]() |
POT![]() | (1S)-1-(PHENOXYMETHYL)PROPYL METHYLPHOSPHONOCHLORIDOATE | A | 2NW6 | 0.74 | ![]() |
AIN![]() | 2-(ACETYLOXY)BENZOIC ACID | A | 3GCL | 0.72 | ![]() |
AIN![]() | 2-(ACETYLOXY)BENZOIC ACID | A | 2QQT | 0.72 | ![]() |
AIN![]() | 2-(ACETYLOXY)BENZOIC ACID | A | 1TGM | 0.72 | ![]() |
AIN![]() | 2-(ACETYLOXY)BENZOIC ACID | A | 2G5J | 0.72 | ![]() |
AIN![]() | 2-(ACETYLOXY)BENZOIC ACID | A | 1OXR | 0.72 | ![]() |
AIN![]() | 2-(ACETYLOXY)BENZOIC ACID | A | 3HWY | 0.72 | ![]() |
PYG![]() | BENZENE-1,2,3-TRIOL | A,B,C,D,E,F, G,H,I,J,K,L | 1TI4 | 0.73 | ![]() |
PYG![]() | BENZENE-1,2,3-TRIOL | M,N,O,P,Q,R, S,T,U,V,W,X | 1VLE | 0.73 | ![]() |
MBD![]() | 3-METHYLCATECHOL | A | 1KNF | 0.71 | ![]() |
4MU![]() | 7-hydroxy-4-methyl-2H-chromen-2- one | A,B | 3ETS | 0.74 | ![]() |
CAQ![]() | CATECHOL | B | 2BUY | 0.77 | ![]() |
CAQ![]() | CATECHOL | A | 1KND | 0.77 | ![]() |
CAQ![]() | CATECHOL | B | 2BUQ | 0.77 | ![]() |
CAQ![]() | CATECHOL | A,B | 1DLT | 0.77 | ![]() |
CAQ![]() | CATECHOL | A | 1XEP | 0.77 | ![]() |
CAQ![]() | CATECHOL | A | 2PUM | 0.77 | ![]() |
2C2![]() | (2S)-2-HYDROXY-2H-CHROMENE-2-CARBOXYLIC ACID | A | 2IME | 0.77 | ![]() |
2C2![]() | (2S)-2-HYDROXY-2H-CHROMENE-2-CARBOXYLIC ACID | A | 2IMD | 0.77 | ![]() |
268![]() | 2-phenoxyethanol | A | 2RBR | 0.83 | ![]() |
EUG![]() | 2-METHOXY-4-VINYL-PHENOL | A | 2QU9 | 0.81 | ![]() |
EUG![]() | 2-METHOXY-4-VINYL-PHENOL | A,B | 1QLU | 0.81 | ![]() |
EUG![]() | 2-METHOXY-4-VINYL-PHENOL | A,B | 1W1J | 0.81 | ![]() |
EUG![]() | 2-METHOXY-4-VINYL-PHENOL | A,B | 2VAO | 0.81 | ![]() |
EUG![]() | 2-METHOXY-4-VINYL-PHENOL | A,B | 1W1K | 0.81 | ![]() |
EUG![]() | 2-METHOXY-4-VINYL-PHENOL | A,B | 1DZN | 0.81 | ![]() |
EUG![]() | 2-METHOXY-4-VINYL-PHENOL | A,B | 1W1L | 0.81 | ![]() |
EUG![]() | 2-METHOXY-4-VINYL-PHENOL | A,B | 1W1M | 0.81 | ![]() |
MAX![]() | MATAIRESINOL | A | 2BGM | 0.73 | ![]() |
ZZ1![]() | 4-METHYL-2H-CHROMEN-2-ONE | A | 2CIP | 0.75 | ![]() |
2HC![]() | (2E)-3-(2-HYDROXYPHENYL)ACRYLIC ACID | A,B | 1V5Z | 0.7 | ![]() |
LJ4![]() | 2,6-dibromo-4-phenoxyphenol | A,B | 3CN3 | 0.72 | ![]() |