Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02272141
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 |
226![]() | naphthalene-1,2,4,5,7-pentol | A,B | 2NZ5 | 0.74 | ![]() |
DB1![]() | 2,3-DIHYDROXYBENZAMIDE | A,B,C | 1X71 | 0.73 | ![]() |
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 | ![]() |
PYG![]() | BENZENE-1,2,3-TRIOL | A,B,C,D,E,F, G,H,I,J,K,L | 1TI4 | 0.71 | ![]() |
PYG![]() | BENZENE-1,2,3-TRIOL | M,N,O,P,Q,R, S,T,U,V,W,X | 1VLE | 0.71 | ![]() |
BPY![]() | BIPHENYL-2,3-DIOL | A | 1KMY | 0.7 | ![]() |
BPY![]() | BIPHENYL-2,3-DIOL | B | 1KW8 | 0.7 | ![]() |
BPY![]() | BIPHENYL-2,3-DIOL | A | 2EI3 | 0.7 | ![]() |
BPY![]() | BIPHENYL-2,3-DIOL | A | 1EIR | 0.7 | ![]() |
BPY![]() | BIPHENYL-2,3-DIOL | B | 1KW6 | 0.7 | ![]() |
BPY![]() | BIPHENYL-2,3-DIOL | B | 1KWC | 0.7 | ![]() |
BPY![]() | BIPHENYL-2,3-DIOL | B | 1KW9 | 0.7 | ![]() |
HC4![]() | A | 1TS6 | 0.72 | ![]() | |
HC4![]() | A | 3PHY | 0.72 | ![]() | |
HC4![]() | A | 3PYP | 0.72 | ![]() | |
HC4![]() | A | 1T1C | 0.72 | ![]() | |
HC4![]() | A | 1OT6 | 0.72 | ![]() | |
HC4![]() | A | 1TS0 | 0.72 | ![]() | |
HC4![]() | A | 1T1A | 0.72 | ![]() | |
HC4![]() | A | 2PYP | 0.72 | ![]() | |
HC4![]() | A | 2ZOI | 0.72 | ![]() | |
HC4![]() | A | 1OTI | 0.72 | ![]() | |
HC4![]() | A | 1XFQ | 0.72 | ![]() | |
HC4![]() | A | 2D01 | 0.72 | ![]() | |
HC4![]() | A,B,C,D,E,F, G,H | 2O7B | 0.72 | ![]() | |
HC4![]() | A | 2ZOH | 0.72 | ![]() | |
HC4![]() | A | 1GSW | 0.72 | ![]() | |
HC4![]() | A | 2QJ7 | 0.72 | ![]() | |
HC4![]() | A | 1F9I | 0.72 | ![]() | |
HC4![]() | X | 1UWP | 0.72 | ![]() | |
HC4![]() | A | 2PHY | 0.72 | ![]() | |
HC4![]() | A | 1T1B | 0.72 | ![]() | |
HC4![]() | A | 1F98 | 0.72 | ![]() | |
HC4![]() | A | 1T19 | 0.72 | ![]() | |
HC4![]() | X | 1UWN | 0.72 | ![]() | |
HC4![]() | A,B,C,D,E,F, G,H | 2O7F | 0.72 | ![]() | |
HC4![]() | A | 1UGU | 0.72 | ![]() | |
HC4![]() | A | 1TS8 | 0.72 | ![]() | |
HC4![]() | A,B | 1OTD | 0.72 | ![]() | |
HC4![]() | A | 1OTE | 0.72 | ![]() | |
HC4![]() | A | 1GSX | 0.72 | ![]() | |
HC4![]() | A | 1TS7 | 0.72 | ![]() | |
HC4![]() | A | 2PYR | 0.72 | ![]() | |
HC4![]() | A | 1S4S | 0.72 | ![]() | |
HC4![]() | A | 1GSV | 0.72 | ![]() | |
HC4![]() | A | 2I9V | 0.72 | ![]() | |
HC4![]() | A | 2QWS | 0.72 | ![]() | |
HC4![]() | A | 1XFN | 0.72 | ![]() | |
HC4![]() | A | 1S4R | 0.72 | ![]() | |
HC4![]() | A | 1T18 | 0.72 | ![]() | |
HC4![]() | A | 1OTA | 0.72 | ![]() | |
HC4![]() | A | 1D7E | 0.72 | ![]() | |
HC4![]() | A | 1S1Z | 0.72 | ![]() | |
HC4![]() | A,B,C | 1MZU | 0.72 | ![]() | |
HC4![]() | A,B | 1ODV | 0.72 | ![]() | |
HC4![]() | A,B | 2J3J | 0.72 | ![]() | |
HC4![]() | A | 2QJ5 | 0.72 | ![]() | |
HC4![]() | A | 1OTB | 0.72 | ![]() | |
HC4![]() | A | 2D02 | 0.72 | ![]() | |
HC4![]() | A | 1OT9 | 0.72 | ![]() | |
HC4![]() | A | 1NWZ | 0.72 | ![]() | |
HC4![]() | A | 1S1Y | 0.72 | ![]() | |
TOH![]() | (3E)-4-(2-HYDROXYPHENYL)-2-OXOBUT- 3-ENOIC ACID | A | 2IME | 0.7 | ![]() |
TOH![]() | (3E)-4-(2-HYDROXYPHENYL)-2-OXOBUT- 3-ENOIC ACID | A | 2IMD | 0.7 | ![]() |
SYR![]() | SYRINGATE | A,B | 1WB5 | 0.71 | ![]() |
DHY![]() | 2-(3,4-DIHYDROXYPHENYL)ACETIC ACID | M,N,O,P,Q,R | 3PCN | 0.73 | ![]() |
DHY![]() | 2-(3,4-DIHYDROXYPHENYL)ACETIC ACID | B | 1AI4 | 0.73 | ![]() |
DHY![]() | 2-(3,4-DIHYDROXYPHENYL)ACETIC ACID | A,B,C,D | 1Q0C | 0.73 | ![]() |
DHY![]() | 2-(3,4-DIHYDROXYPHENYL)ACETIC ACID | A,B | 1F1V | 0.73 | ![]() |
DAH![]() | 3,4-DIHYDROXYPHENYLALANINE | A,B | 1RNR | 0.7 | ![]() |
DAH![]() | 3,4-DIHYDROXYPHENYLALANINE | A | 6PAH | 0.7 | ![]() |
DAH![]() | 3,4-DIHYDROXYPHENYLALANINE | A,B | 1IVV | 0.7 | ![]() |
HBD![]() | 4-HYDROXYBENZAMIDE | B,C,D | 1BEN | 0.71 | ![]() |
34D![]() | 3,5-DIHYDROXYBENZOATE | A,B | 2BX7 | 0.73 | ![]() |
DBH![]() | 2,3-DIHYDROXY-BENZOIC ACID | A,B,C | 3CMP | 0.71 | ![]() |
DBH![]() | 2,3-DIHYDROXY-BENZOIC ACID | A | 1MD9 | 0.71 | ![]() |
DBH![]() | 2,3-DIHYDROXY-BENZOIC ACID | A | 1MDB | 0.71 | ![]() |
DBH![]() | 2,3-DIHYDROXY-BENZOIC ACID | A,B,C | 1L6M | 0.71 | ![]() |
DBH![]() | 2,3-DIHYDROXY-BENZOIC ACID | A,B,C | 3BY0 | 0.71 | ![]() |
LDP![]() | L-DOPAMINE | A,B | 2A3R | 0.74 | ![]() |
LDP![]() | L-DOPAMINE | A | 5PAH | 0.74 | ![]() |
LDP![]() | L-DOPAMINE | A,B | 2QMZ | 0.74 | ![]() |
LDP![]() | L-DOPAMINE | A,B | 2VQ5 | 0.74 | ![]() |
MBD![]() | 3-METHYLCATECHOL | A | 1KNF | 0.72 | ![]() |
Y13![]() | (2E)-3-(3,4-DIHYDROXYPHENYL)-N- [2-(4-HYDROXYPHENYL)ETHYL]ACRYLAMIDE | A | 2EW6 | 0.75 | ![]() |
F16![]() | 5-(3-HYDROXYPHENYL)ISOTHIAZOL-3(2H)- ONE 1,1-DIOXIDE | A | 2CM8 | 0.73 | ![]() |
FER![]() | 3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID | A,C,E | 1KYZ | 0.72 | ![]() |
FER![]() | 3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID | A | 1JT2 | 0.72 | ![]() |
FER![]() | 3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID | A | 6ATJ | 0.72 | ![]() |
FER![]() | 3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID | A,B | 1GKL | 0.72 | ![]() |
FER![]() | 3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID | A | 1GWT | 0.72 | ![]() |
FER![]() | 3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID | A,B,C | 2BJH | 0.72 | ![]() |
FER![]() | 3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID | A | 1GW2 | 0.72 | ![]() |
FER![]() | 3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID | A | 3CBG | 0.72 | ![]() |
FER![]() | 3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID | A | 2BNJ | 0.72 | ![]() |
FER![]() | 3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID | A,B | 1UWC | 0.72 | ![]() |
FER![]() | 3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID | A | 7ATJ | 0.72 | ![]() |
DHC![]() | CAFFEIC ACID | A,B,C,D,E,F, G,H | 2O7D | 0.79 | ![]() |
DHC![]() | CAFFEIC ACID | A | 1KOU | 0.79 | ![]() |
4FE![]() | (2E)-3-(3-hydroxy-4-methoxyphenyl)prop- 2-enoic acid | A | 3CBG | 0.72 | ![]() |
FHC![]() | 2-FLUORO-3-(4-HYDROXYPHENYL)-2E- PROPENEOATE | A | 2OPA | 0.7 | ![]() |
FHC![]() | 2-FLUORO-3-(4-HYDROXYPHENYL)-2E- PROPENEOATE | A,B,C | 1MFI | 0.7 | ![]() |
FHC![]() | 2-FLUORO-3-(4-HYDROXYPHENYL)-2E- PROPENEOATE | A,B | 1GYY | 0.7 | ![]() |
HFL![]() | 5-(3,3-DIHYDROXYPROPENY)-3-METHOXY- BENZENE-1,2-DIOL | C,F | 1KYW | 0.71 | ![]() |
SGI![]() | 3-(4-hydroxyphenyl)propanamide | A,B | 2R9K | 0.73 | ![]() |
TY3![]() | 3-HYDROXY-L-TYROSINE | A,B | 2VH3 | 0.7 | ![]() |
STL![]() | RESVERATROL | A,B | 3CKL | 0.75 | ![]() |
STL![]() | RESVERATROL | A,B,C,D | 1U0W | 0.75 | ![]() |
STL![]() | RESVERATROL | A | 1CGZ | 0.75 | ![]() |
STL![]() | RESVERATROL | A,B,C,D,E,F, G,H,I,J,K,L, M,N | 2JIZ | 0.75 | ![]() |
STL![]() | RESVERATROL | A | 1Z1F | 0.75 | ![]() |
STL![]() | RESVERATROL | A | 1DVS | 0.75 | ![]() |
STL![]() | RESVERATROL | A,B | 1SG0 | 0.75 | ![]() |
SXX![]() | SINAPINATE | A,B | 1WB4 | 0.76 | ![]() |
PIT![]() | PICEATANNOL | A,B,C,D,E,F, G,H,I,J,K,L, M,N | 2JJ1 | 0.8 | ![]() |
DHR![]() | (2S)-HYDROXY(4-HYDROXYPHENYL)ETHANENITRILE | A,B | 1E55 | 0.71 | ![]() |
MCT![]() | 4-METHYLCATECHOL | A | 1L4G | 0.74 | ![]() |
MCT![]() | 4-METHYLCATECHOL | A | 2EHZ | 0.74 | ![]() |
MCT![]() | 4-METHYLCATECHOL | A,B | 1DMH | 0.74 | ![]() |
LNR![]() | L-NOREPINEPHRINE | A,B | 2QEO | 0.72 | ![]() |
LNR![]() | L-NOREPINEPHRINE | A | 3DYE | 0.72 | ![]() |
LNR![]() | L-NOREPINEPHRINE | A | 4PAH | 0.72 | ![]() |
BP7![]() | 1,1'-BIPHENYL-3,4-DIOL | A | 2EI0 | 0.71 | ![]() |
IM3![]() | (2E)-3-(3,4-DIHYDROXYPHENYL)-2- IMINOPROPANOIC ACID | A,B,C,D | 2E82 | 0.73 | ![]() |
SN1![]() | 2,4-DIHYDROXY-TRANS CINNAMIC ACID | 1 | 1K2I | 0.77 | ![]() |
2HC![]() | (2E)-3-(2-HYDROXYPHENYL)ACRYLIC ACID | A,B | 1V5Z | 0.7 | ![]() |