Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01593187
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 |
A18 | 5-(2-CHLOROBENZYL)-2-FUROIC ACID | A | 2Q96 | 0.76 |  |
DHB | 3,4-DIHYDROXYBENZOIC ACID | B | 2BV0 | 0.72 | |
| DHB | 3,4-DIHYDROXYBENZOIC ACID | A,B,D,F,H,J,L | 1YKP | 0.72 | |
| DHB | 3,4-DIHYDROXYBENZOIC ACID | A | 1N8Q | 0.72 | |
| DHB | 3,4-DIHYDROXYBENZOIC ACID | A,B | 2BSL | 0.72 | |
| DHB | 3,4-DIHYDROXYBENZOIC ACID | B,D,F,H,J,L | 1YKL | 0.72 | |
| DHB | 3,4-DIHYDROXYBENZOIC ACID | B,D | 1B4U | 0.72 | |
| DHB | 3,4-DIHYDROXYBENZOIC ACID | A | 3DX5 | 0.72 | |
| DHB | 3,4-DIHYDROXYBENZOIC ACID | M,N,O,P,Q,R | 3PCA | 0.72 | |
| DHB | 3,4-DIHYDROXYBENZOIC ACID | B,D,F,H,J,L | 1YKN | 0.72 | |
| DHB | 3,4-DIHYDROXYBENZOIC ACID | B | 1EOB | 0.72 | |
| DHB | 3,4-DIHYDROXYBENZOIC ACID | A | 1PHH | 0.72 | |
| DHB | 3,4-DIHYDROXYBENZOIC ACID | B | 2BUV | 0.72 | |
MPB | 4-HYDROXY-BENZOIC ACID METHYL ESTER | B,C,D | 2VK0 | 0.72 | |
| MPB | 4-HYDROXY-BENZOIC ACID METHYL ESTER | A,B,D | 3MTH | 0.72 | |
DFL | 2-(4-HYDROXY-PHENYL)-CHROMAN-4- ONE | A,B | 1JEP | 0.71 | |
ANN | 4-METHOXYBENZOIC ACID | A | 2B96 | 0.74 | |
| ANN | 4-METHOXYBENZOIC ACID | A | 2QUE | 0.74 | |
| ANN | 4-METHOXYBENZOIC ACID | A | 1SV3 | 0.74 | |
| ANN | 4-METHOXYBENZOIC ACID | A | 1O2E | 0.74 | |
| ANN | 4-METHOXYBENZOIC ACID | A,B,C,D | 3CBI | 0.74 | |
EUG | 2-METHOXY-4-VINYL-PHENOL | A | 2QU9 | 0.73 | |
| EUG | 2-METHOXY-4-VINYL-PHENOL | A,B | 1QLU | 0.73 | |
| EUG | 2-METHOXY-4-VINYL-PHENOL | A,B | 1W1J | 0.73 | |
| EUG | 2-METHOXY-4-VINYL-PHENOL | A,B | 2VAO | 0.73 | |
| EUG | 2-METHOXY-4-VINYL-PHENOL | A,B | 1W1K | 0.73 | |
| EUG | 2-METHOXY-4-VINYL-PHENOL | A,B | 1DZN | 0.73 | |
| EUG | 2-METHOXY-4-VINYL-PHENOL | A,B | 1W1L | 0.73 | |
| EUG | 2-METHOXY-4-VINYL-PHENOL | A,B | 1W1M | 0.73 | |
TN3 | 3-CHLORO-4-(4-CHLORO-2-HYDROXYPHENOXY)- N-METHYLBENZAMIDE | A,B | 1ZXB | 0.74 | |
MPP | 3-(3,4-DIMETHOXYPHENYL)PROPIONIC ACID | A,B | 2AY3 | 0.75 | |
BP3 | 2'-CHLORO-BIPHENYL-2,3-DIOL | A | 1LGT | 0.73 | |
CHB | 3-CHLORO-4-HYDROXYBENZOIC ACID | M,N,O,P,Q,R | 3PCH | 0.71 | |
397 | 2-(4-HYDROXY-PHENYL)BENZOFURAN- 5-OL | A,B | 1U9E | 0.71 | |
BYS | 2-BENZO[1,3]DIOXOL-5-YLMETHYL-3- BENZYL-SUCCINIC ACID | A,B | 1JJE | 0.7 | |
L1O | 4-(2-aminoethoxy)-3,5-dichlorobenzoic acid | A | 2VIO | 0.7 | |
GRR | (2S)-2-(4-ethylphenoxy)-3-phenylpropanoic acid | A | 3CDS | 0.71 | |
FC2 | 5-(2,5-DICHLOROPHENYL)-2-FUROIC ACID | A | 2EVM | 0.75 | |
NCZ | 2-HYDROXY-7-METHOXY-5-METHYL-NAPHTHALENE- 1-CARBOXYLIC ACID MESO-2,5-DIHYDROXY- CYCLOPENT-3-ENYL ESTER | A | 1J5I | 0.7 | |
BP6 | 2',6'-DICHLORO-BIPHENYL-2,6-DIOL | A | 1LKD | 0.74 | |
SAK | (2S)-5-hydroxy-2-(4-hydroxyphenyl)- 7-methoxy-2,3-dihydro-4H-chromen- 4-one | A,B,C,D,E,F | 3D04 | 0.71 | |
V55 | 4-hydroxy-3-methoxybenzaldehyde | B,D,E,F | 2VSS | 0.83 | |
| V55 | 4-hydroxy-3-methoxybenzaldehyde | A,B,D,E,F | 2VSU | 0.83 | |
JPA | 4-(2,4-DICHLOROPHENOXY)-2'-METHYLBIPHENYL- 3-OL | A,B | 2FOI | 0.77 | |
TCT | 6-(4-CHLORO-2-HYDROXY-PHENOXY)- NAPHTHALEN-2-OL | A,B | 1NNU | 0.75 | |
DHY | 2-(3,4-DIHYDROXYPHENYL)ACETIC ACID | M,N,O,P,Q,R | 3PCN | 0.7 | |
| DHY | 2-(3,4-DIHYDROXYPHENYL)ACETIC ACID | B | 1AI4 | 0.7 | |
| DHY | 2-(3,4-DIHYDROXYPHENYL)ACETIC ACID | A,B,C,D | 1Q0C | 0.7 | |
| DHY | 2-(3,4-DIHYDROXYPHENYL)ACETIC ACID | A,B | 1F1V | 0.7 | |
JPM | 5-benzyl-2-(2,4-dichlorophenoxy)phenol | A,B,C,D | 3FNF | 0.77 | |
AC6 | P-HYDROXYACETOPHENONE | A | 2GQ8 | 0.72 | |
| AC6 | P-HYDROXYACETOPHENONE | X | 2O48 | 0.72 | |
23A | 2,3-DIHYDROXYBENZALDEHYDE | A,B,C,D | 2DVX | 0.7 | |
DDC | 7-HYDROXY-2-PHENYL-CHROMAN-4-ONE | A,B | 1FM8 | 0.7 | |
JPJ | 2-(2,4-DICHLOROPHENOXY)-5-(2-PHENYLETHYL)PHENOL | A,B | 2OOS | 0.77 | |
| JPJ | 2-(2,4-DICHLOROPHENOXY)-5-(2-PHENYLETHYL)PHENOL | A | 3FNH | 0.77 | |
3CA | A,B | 2B77 | 0.76 | | |
SIG | STIGMATELLIN | C,D,E | 2BCC | 0.74 | |
| SIG | STIGMATELLIN | C,D,E | 3BCC | 0.74 | |
JPN | 2-(2,4-DICHLOROPHENOXY)-5-(3-PHENYLPROPYL)PHENOL | A,B | 2OL4 | 0.77 | |
YRG | (2S)-2-(4-chlorophenoxy)-3-phenylpropanoic acid | A | 3CDP | 0.75 | |
34C | (3-CHLORO-4-PROPOXY-PHENYL)-ACETIC ACID | A,B | 1HT8 | 0.73 | |
EAA | ETHACRYNIC ACID | A,B | 3DGQ | 0.75 | |
| EAA | ETHACRYNIC ACID | A,B | 11GS | 0.75 | |
| EAA | ETHACRYNIC ACID | A,B,C,D | 1GSF | 0.75 | |
| EAA | ETHACRYNIC ACID | A,B | 2GSS | 0.75 | |
| EAA | ETHACRYNIC ACID | A,B | 3GSS | 0.75 | |
| EAA | ETHACRYNIC ACID | A,B | 1GSE | 0.75 | |
MAX | MATAIRESINOL | A | 2BGM | 0.77 | |
A15 | 3'-3"-DICHLOROPHENOL-1,8-3H-BENZO[DE]ISOCHROMEN- 1-ONE | A | 1TSL | 0.71 | |
BVL | (2E)-1-[2-hydroxy-4-methoxy-5-(3- methylbut-2-en-1-yl)phenyl]-3-(4- hydroxyphenyl)prop-2-en-1-one | A | 2ZBH | 0.74 | |
ERD | (2S)-2-(3,4-DIHYDROXYPHENYL)-5,7- DIHYDROXY-2,3-DIHYDRO-4H-CHROMEN- 4-ONE | D,F | 2NNL | 0.73 | |
HMO | 4'-HYDROXY-7-METHOXYISOFLAVONE | A | 1FP2 | 0.74 | |
TDS | 8-HYDROXY-5,7-DIMETHOXY-3-METHYL- 2-TRIDECYL-4H-CHROMEN-4-ONE | A,B,C,D,L,R | 1Q90 | 0.74 | |
| TDS | 8-HYDROXY-5,7-DIMETHOXY-3-METHYL- 2-TRIDECYL-4H-CHROMEN-4-ONE | A,B,C,D,G | 2E76 | 0.74 | |
| TDS | 8-HYDROXY-5,7-DIMETHOXY-3-METHYL- 2-TRIDECYL-4H-CHROMEN-4-ONE | A,B,C,D,E,N, O,P,Q,R | 1VF5 | 0.74 | |
SYR | SYRINGATE | A,B | 1WB5 | 0.78 | |
IH5 | [4-(4-HYDROXY-3-ISOPROPYLPHENOXY)- 3,5-DIMETHYLPHENYL]ACETIC ACID | A | 1NAV | 0.75 | |
| IH5 | [4-(4-HYDROXY-3-ISOPROPYLPHENOXY)- 3,5-DIMETHYLPHENYL]ACETIC ACID | A | 1NAX | 0.75 | |
DQH | (2R,3R)-2-(3,4-DIHYDROXYPHENYL)- 3,5,7-TRIHYDROXY-2,3-DIHYDRO-4H- CHROMEN-4-ONE | A | 1GP5 | 0.73 | |
| DQH | (2R,3R)-2-(3,4-DIHYDROXYPHENYL)- 3,5,7-TRIHYDROXY-2,3-DIHYDRO-4H- CHROMEN-4-ONE | D,F | 2C29 | 0.73 | |
FRR | (3R,5Z,8S,9S,11E)-8,9,16-TRIHYDROXY- 14-METHOXY-3-METHYL-3,4,9,10-TETRAHYDRO- 1H-2-BENZOXACYCLOTETRADECINE-1,7(8H)- DIONE | A | 2E14 | 0.71 | |
FSE | 3,7,3',4'-TETRAHYDROXYFLAVONE | B | 1XO2 | 0.74 | |
VXX | VANILLATE | A,B | 1WB6 | 0.81 | |
AI7 | 3-(heptyloxy)benzoic acid | A,B | 2O3Z | 0.73 | |
EMF | ethyl (1S,2S)-2-(4-hydroxy-3-methoxyphenyl)cyclopropanecarboxylate | A,B | 2QZZ | 0.73 | |
| EMF | ethyl (1S,2S)-2-(4-hydroxy-3-methoxyphenyl)cyclopropanecarboxylate | A,B | 2R2G | 0.73 | |
MGI | methyl 4-(2,3-dihydroxy-5-methylphenoxy)- 2-hydroxy-6-methylbenzoate | A | 2ZA0 | 0.75 | |
SXX | SINAPINATE | A,B | 1WB4 | 0.71 | |
MYF | 5,7-DIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)- 4H-CHROMEN-4-ONE | A | 2O65 | 0.73 | |
300 | 2-FORMYL-6-METHOXYPHENYL DIHYDROGEN PHOSPHATE | A | 1O41 | 0.72 | |
VNL | 4-HYDROXY-3-METHOXYBENZOATE | A,B,C,D | 2AHC | 0.81 | |
| VNL | 4-HYDROXY-3-METHOXYBENZOATE | A | 1XLR | 0.81 | |
L41 | {4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]phenoxy}acetic acid | A,B | 3D5F | 0.71 | |
REF | 2,3,7,8-tetrahydroxychromeno[5,4,3- cde]chromene-5,10-dione | A | 2ZJW | 0.71 | |
DH2 | (2S,3S)-2-(3,4-DIHYDROXYPHENYL)- 3,5,7-TRIHYDROXY-2,3-DIHYDRO-4H- CHROMEN-4-ONE | A | 1GP5 | 0.73 | |
| DH2 | (2S,3S)-2-(3,4-DIHYDROXYPHENYL)- 3,5,7-TRIHYDROXY-2,3-DIHYDRO-4H- CHROMEN-4-ONE | A | 1GP6 | 0.73 | |
4FE | (2E)-3-(3-hydroxy-4-methoxyphenyl)prop- 2-enoic acid | A | 3CBG | 0.75 | |
FCD | 5-(2-CHLOROPHENYL)FURAN-2-CARBOXYLIC ACID | A | 1XNZ | 0.76 | |
JPL | 5-(cyclohexa-1,5-dien-1-ylmethyl)- 2-(2,4-dichlorophenoxy)phenol | A | 3FNG | 0.78 | |
QSO | 5,7-dihydroxy-3-(4-methoxyphenyl)- 4H-chromen-4-one | A,B | 2QYO | 0.74 | |
GEN | GENISTEIN | A | 1QKM | 0.72 | |
| GEN | GENISTEIN | A,B | 1X7J | 0.72 | |
| GEN | GENISTEIN | A,B | 2QA8 | 0.72 | |
| GEN | GENISTEIN | A | 1X7R | 0.72 | |
DBE | bis(4-hydroxyphenyl)methanone | A | 2VKU | 0.74 | |
MYC | 3,5,7-TRIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)- 4H-CHROMEN-4-ONE | A,B,C,D | 3C1T | 0.72 | |
| MYC | 3,5,7-TRIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)- 4H-CHROMEN-4-ONE | A | 2O63 | 0.72 | |
| MYC | 3,5,7-TRIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)- 4H-CHROMEN-4-ONE | A | 1E90 | 0.72 | |
| MYC | 3,5,7-TRIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)- 4H-CHROMEN-4-ONE | A,B,C,D | 2IOD | 0.72 | |
8PS | 5-OCTYL-2-PHENOXYPHENOL | A,B,C,D,E,F | 2B37 | 0.74 | |
MYU | 3,5,6,7-TETRAHYDROXY-2-(3,4-DIHYDROXYPHENYL)- 4H-CHROMEN-4-ONE | A | 2O64 | 0.73 | |
DCN | DICLOSAN | A,B,C,D | 2PD4 | 0.71 | |
5PP | 5-PENTYL-2-PHENOXYPHENOL | A,B,C,D,E,F | 2B36 | 0.74 | |
QUE | 3,5,7,3',4'-PENTAHYDROXYFLAVONE | A,B,C,D,E,F | 3BXX | 0.73 | |
| QUE | 3,5,7,3',4'-PENTAHYDROXYFLAVONE | A | 2O3P | 0.73 | |
| QUE | 3,5,7,3',4'-PENTAHYDROXYFLAVONE | A,B | 2UXH | 0.73 | |
| QUE | 3,5,7,3',4'-PENTAHYDROXYFLAVONE | A | 1GP6 | 0.73 | |
| QUE | 3,5,7,3',4'-PENTAHYDROXYFLAVONE | A | 2C9Z | 0.73 | |
| QUE | 3,5,7,3',4'-PENTAHYDROXYFLAVONE | A,B,C,D,E,F, G,H,I,J,K,L, M,N | 2JJ2 | 0.73 | |
| QUE | 3,5,7,3',4'-PENTAHYDROXYFLAVONE | A | 3BPT | 0.73 | |
| QUE | 3,5,7,3',4'-PENTAHYDROXYFLAVONE | A,B,C,D,E,F | 3CF8 | 0.73 | |
| QUE | 3,5,7,3',4'-PENTAHYDROXYFLAVONE | A,B | 2HCK | 0.73 | |
| QUE | 3,5,7,3',4'-PENTAHYDROXYFLAVONE | A,B,C,D | 1H1I | 0.73 | |
| QUE | 3,5,7,3',4'-PENTAHYDROXYFLAVONE | A | 1E8W | 0.73 | |
AFI | 2-[4-(4-CHLOROPHENYL)CYCLOHEXYLIDENE]- 3,4-DIHYDROXY-1(2H)-NAPHTHALENONE | A,B | 1UUM | 0.7 | |
SMA | STIGMATELLIN A | A,C,D,E,N,P, Q,R | 3H1I | 0.74 | |
| SMA | STIGMATELLIN A | A,B,C,D,E,F, G,O,P,Q,R,S,T | 1PPJ | 0.74 | |
| SMA | STIGMATELLIN A | A,C,D,E,L,N, O,P,W | 3CXH | 0.74 | |
| SMA | STIGMATELLIN A | C,D,E,P,Q,R | 1ZRT | 0.74 | |
| SMA | STIGMATELLIN A | C,H,L,M | 2JBL | 0.74 | |
| SMA | STIGMATELLIN A | A,B,C,D,E,F, G,I,N,O,P,Q, R,S,T,U,V,W | 2A06 | 0.74 | |
| SMA | STIGMATELLIN A | A,B,C,D,E,F, G,H,I,J,K,L | 2QJP | 0.74 | |
| SMA | STIGMATELLIN A | A,C,D,E | 1KB9 | 0.74 | |
| SMA | STIGMATELLIN A | A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P,Q,R | 2QJK | 0.74 | |
| SMA | STIGMATELLIN A | A,B,C,D,E,F, G,N,O,P,Q,R, S,T | 1PP9 | 0.74 | |
| SMA | STIGMATELLIN A | C,D,E | 2IBZ | 0.74 | |
| SMA | STIGMATELLIN A | A,C,D,E,L,N, O,P,W | 3CX5 | 0.74 | |
| SMA | STIGMATELLIN A | A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P,Q,R | 2FYN | 0.74 | |
| SMA | STIGMATELLIN A | A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P,Q,R | 2QJY | 0.74 | |
| SMA | STIGMATELLIN A | C,D,E | 1EZV | 0.74 | |
| SMA | STIGMATELLIN A | C,D,E,N,O,P,W | 1KYO | 0.74 | |
| SMA | STIGMATELLIN A | A,C,D,E,G,N, P,Q,R,S | 3H1J | 0.74 | |
| SMA | STIGMATELLIN A | C,D,E | 1SQX | 0.74 | |
FER | 3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID | A,C,E | 1KYZ | 0.75 | |
| FER | 3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID | A | 1JT2 | 0.75 | |
| FER | 3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID | A | 6ATJ | 0.75 | |
| FER | 3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID | A,B | 1GKL | 0.75 | |
| FER | 3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID | A | 1GWT | 0.75 | |
| FER | 3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID | A,B,C | 2BJH | 0.75 | |
| FER | 3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID | A | 1GW2 | 0.75 | |
| FER | 3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID | A | 3CBG | 0.75 | |
| FER | 3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID | A | 2BNJ | 0.75 | |
| FER | 3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID | A,B | 1UWC | 0.75 | |
| FER | 3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID | A | 7ATJ | 0.75 | |