Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02998924
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 |
CZM | 'N,N'-BIS-(2-HYDROXY-3-METHYL-BENZYLIDENE)- BENZENE-1,2-DIAMINE' | A | 1J3F | 0.75 |  |
| CZM | 'N,N'-BIS-(2-HYDROXY-3-METHYL-BENZYLIDENE)- BENZENE-1,2-DIAMINE' | A | 1UFJ | 0.75 | |
| CZM | 'N,N'-BIS-(2-HYDROXY-3-METHYL-BENZYLIDENE)- BENZENE-1,2-DIAMINE' | A | 1V9Q | 0.75 | |
OX5 | 4-HYDROXYBENZALDEHYDE O-(3,3-DIMETHYLBUTANOYL)OXIME | A,B,C | 2OOZ | 0.74 | |
HXS | 4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenol | A,B | 3CV6 | 0.71 | |
OX4 | 3-FLUORO-4-HYDROXYBENZALDEHYDE O- (CYCLOHEXYLCARBONYL)OXIME | A,B,C | 2OOW | 0.72 | |
MBD | 3-METHYLCATECHOL | A | 1KNF | 0.75 | |
DIN | 1,6-DIHYDROXY NAPHTHALENE | A | 1ZB6 | 0.7 | |
4HL | 4-(HYDRAZINOMETHYL)PHENOL | A,B | 2E2U | 0.73 | |
BPY | BIPHENYL-2,3-DIOL | A | 1KMY | 0.77 | |
| BPY | BIPHENYL-2,3-DIOL | B | 1KW8 | 0.77 | |
| BPY | BIPHENYL-2,3-DIOL | A | 2EI3 | 0.77 | |
| BPY | BIPHENYL-2,3-DIOL | A | 1EIR | 0.77 | |
| BPY | BIPHENYL-2,3-DIOL | B | 1KW6 | 0.77 | |
| BPY | BIPHENYL-2,3-DIOL | B | 1KWC | 0.77 | |
| BPY | BIPHENYL-2,3-DIOL | B | 1KW9 | 0.77 | |
PIT | PICEATANNOL | A,B,C,D,E,F, G,H,I,J,K,L, M,N | 2JJ1 | 0.77 | |
DES | DIETHYLSTILBESTROL | A,B,C,D | 1S9P | 0.72 | |
| DES | DIETHYLSTILBESTROL | A,B | 3ERD | 0.72 | |
| DES | DIETHYLSTILBESTROL | A,B | 1TT6 | 0.72 | |
| DES | DIETHYLSTILBESTROL | A,B,C,D | 1TZ8 | 0.72 | |
IM3 | (2E)-3-(3,4-DIHYDROXYPHENYL)-2- IMINOPROPANOIC ACID | A,B,C,D | 2E82 | 0.71 | |
TY3 | 3-HYDROXY-L-TYROSINE | A,B | 2VH3 | 0.71 | |
555 | 4-(4-HYDROXYPHENYL)-1-NAPHTHALDEHYDE OXIME | A,B | 2NV7 | 0.75 | |
ALE | L-EPINEPHRINE | A | 3PAH | 0.73 | |
| ALE | L-EPINEPHRINE | A | 2HKK | 0.73 | |
2OH | 4,4'-PROPANE-2,2-DIYLDIPHENOL | A | 2E2R | 0.71 | |
| 2OH | 4,4'-PROPANE-2,2-DIYLDIPHENOL | A | 2P7G | 0.71 | |
AEH | 4-(2-aminoethyl)-2-ethylphenol | A | 3BUG | 0.72 | |
MA0 | (1R)-6-HYDROXY-N-METHYL-N-[(1Z)- PROP-2-EN-1-YLIDENE]INDAN-1-AMINIUM | A,B | 2C64 | 0.77 | |
SAF | 3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOL | A | 1GQR | 0.76 | |
| SAF | 3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOL | A | 1GQS | 0.76 | |
DHC | CAFFEIC ACID | A,B,C,D,E,F, G,H | 2O7D | 0.73 | |
| DHC | CAFFEIC ACID | A | 1KOU | 0.73 | |
LNR | L-NOREPINEPHRINE | A,B | 2QEO | 0.76 | |
| LNR | L-NOREPINEPHRINE | A | 3DYE | 0.76 | |
| LNR | L-NOREPINEPHRINE | A | 4PAH | 0.76 | |
LDP | L-DOPAMINE | A,B | 2A3R | 0.81 | |
| LDP | L-DOPAMINE | A | 5PAH | 0.81 | |
| LDP | L-DOPAMINE | A,B | 2QMZ | 0.81 | |
| LDP | L-DOPAMINE | A,B | 2VQ5 | 0.81 | |
MCT | 4-METHYLCATECHOL | A | 1L4G | 0.77 | |
| MCT | 4-METHYLCATECHOL | A | 2EHZ | 0.77 | |
| MCT | 4-METHYLCATECHOL | A,B | 1DMH | 0.77 | |
RM2 | 4-HYDROXY-N-PROPARGYL-1(R)-AMINOINDAN | A,B | 2C66 | 0.78 | |
55E | 4-(4-hydroxy-3-methylphenyl)-6- phenylpyrimidin-2(5H)-one | A | 3DCV | 0.73 | |
ETY | 4-ethylphenol | A,B,C,D | 2RA6 | 0.7 | |
AEG | 4-[(2R)-2-aminopropyl]phenol | A | 3BUF | 0.73 | |
D1N | NAPHTHALENE-1,2-DIOL | A | 2EI1 | 0.75 | |
STL | RESVERATROL | A,B | 3CKL | 0.73 | |
| STL | RESVERATROL | A,B,C,D | 1U0W | 0.73 | |
| STL | RESVERATROL | A | 1CGZ | 0.73 | |
| STL | RESVERATROL | A,B,C,D,E,F, G,H,I,J,K,L, M,N | 2JIZ | 0.73 | |
| STL | RESVERATROL | A | 1Z1F | 0.73 | |
| STL | RESVERATROL | A | 1DVS | 0.73 | |
| STL | RESVERATROL | A,B | 1SG0 | 0.73 | |
AEF | 4-(2-aminoethyl)phenol | A | 3BRA | 0.75 | |
Y13 | (2E)-3-(3,4-DIHYDROXYPHENYL)-N- [2-(4-HYDROXYPHENYL)ETHYL]ACRYLAMIDE | A | 2EW6 | 0.76 | |
2MP | 3,4-DIMETHYLPHENOL | A | 1L5O | 0.71 | |
PCR | P-CRESOL | A | 1JHV | 0.7 | |
| PCR | P-CRESOL | A | 1JHU | 0.7 | |
| PCR | P-CRESOL | A,B,C,D | 1DIQ | 0.7 | |
1OH | 4-(1-methyl-1-phenylethyl)phenol | A | 2ZAS | 0.7 | |
OTS | 4-(2S-AMINO-1-HYDROXYETHYL)PHENOL | A,B | 1RG2 | 0.71 | |
| OTS | 4-(2S-AMINO-1-HYDROXYETHYL)PHENOL | A,B | 1RG1 | 0.71 | |
| OTS | 4-(2S-AMINO-1-HYDROXYETHYL)PHENOL | A,B | 1RH0 | 0.71 | |
| OTS | 4-(2S-AMINO-1-HYDROXYETHYL)PHENOL | A,B | 1RGU | 0.71 | |
| OTS | 4-(2S-AMINO-1-HYDROXYETHYL)PHENOL | A,B | 1RGT | 0.71 | |
DAH | 3,4-DIHYDROXYPHENYLALANINE | A,B | 1RNR | 0.71 | |
| DAH | 3,4-DIHYDROXYPHENYLALANINE | A | 6PAH | 0.71 | |
| DAH | 3,4-DIHYDROXYPHENYLALANINE | A,B | 1IVV | 0.71 | |
BP3 | 2'-CHLORO-BIPHENYL-2,3-DIOL | A | 1LGT | 0.71 | |
OTR | 4-(2R-AMINO-1-HYDROXYETHYL)PHENOL | A,B | 1RGT | 0.71 | |
| OTR | 4-(2R-AMINO-1-HYDROXYETHYL)PHENOL | A,B | 1RG2 | 0.71 | |
| OTR | 4-(2R-AMINO-1-HYDROXYETHYL)PHENOL | A,B | 2AN4 | 0.71 | |
OX3 | 4-HYDROXYBENZALDEHYDE O-(CYCLOHEXYLCARBONYL)OXIME | A,B,C | 2OOH | 0.74 | |
EUG | 2-METHOXY-4-VINYL-PHENOL | A | 2QU9 | 0.71 | |
| EUG | 2-METHOXY-4-VINYL-PHENOL | A,B | 1QLU | 0.71 | |
| EUG | 2-METHOXY-4-VINYL-PHENOL | A,B | 1W1J | 0.71 | |
| EUG | 2-METHOXY-4-VINYL-PHENOL | A,B | 2VAO | 0.71 | |
| EUG | 2-METHOXY-4-VINYL-PHENOL | A,B | 1W1K | 0.71 | |
| EUG | 2-METHOXY-4-VINYL-PHENOL | A,B | 1DZN | 0.71 | |
| EUG | 2-METHOXY-4-VINYL-PHENOL | A,B | 1W1L | 0.71 | |
| EUG | 2-METHOXY-4-VINYL-PHENOL | A,B | 1W1M | 0.71 | |
AED | 4-(2-aminoethyl)-2-cyclohexylphenol | A | 3BUH | 0.73 | |
BP7 | 1,1'-BIPHENYL-3,4-DIOL | A | 2EI0 | 0.79 | |
CRS | M-CRESOL | A,B,C,D | 1EV3 | 0.71 | |
| CRS | M-CRESOL | A,B,C,D,E,F | 2OMG | 0.71 | |
| CRS | M-CRESOL | A,B | 1UZ9 | 0.71 | |
| CRS | M-CRESOL | A,B,C,D | 1ZEH | 0.71 | |
| CRS | M-CRESOL | A,B,C,D,E,F | 1ZEI | 0.71 | |
| CRS | M-CRESOL | A,C,D,E | 7INS | 0.71 | |
| CRS | M-CRESOL | A,B,C,D,E,G, I,K | 1EV6 | 0.71 | |