Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03693998
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 |  |
SAF | 3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOL | A | 1GQR | 0.8 | |
| SAF | 3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOL | A | 1GQS | 0.8 | |
Y13 | (2E)-3-(3,4-DIHYDROXYPHENYL)-N- [2-(4-HYDROXYPHENYL)ETHYL]ACRYLAMIDE | A | 2EW6 | 0.77 | |
TN1 | 5,6,7,8-TETRAHYDRONAPHTHALEN-1- OL | A | 1YSG | 0.75 | |
MBD | 3-METHYLCATECHOL | A | 1KNF | 0.74 | |
BPZ | 4,4'-cyclohexane-1,1-diyldiphenol | A | 2ZKC | 0.7 | |
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 | |
AEH | 4-(2-aminoethyl)-2-ethylphenol | A | 3BUG | 0.73 | |
TY3 | 3-HYDROXY-L-TYROSINE | A,B | 2VH3 | 0.76 | |
MOI | (7R,7AS,12BS)-3-METHYL-2,3,4,4A,7,7A- HEXAHYDRO-1H-4,12-METHANO[1]BENZOFURO[3,2- E]ISOQUINOLINE-7,9-DIOL | H,L | 1Q0Y | 0.72 | |
ETC | (R,R)-5,11-CIS-DIETHYL-5,6,11,12- TETRAHYDROCHRYSENE-2,8-DIOL | A,B | 1L2I | 0.73 | |
| ETC | (R,R)-5,11-CIS-DIETHYL-5,6,11,12- TETRAHYDROCHRYSENE-2,8-DIOL | A,B | 1L2J | 0.73 | |
OTS | 4-(2S-AMINO-1-HYDROXYETHYL)PHENOL | A,B | 1RG2 | 0.7 | |
| OTS | 4-(2S-AMINO-1-HYDROXYETHYL)PHENOL | A,B | 1RG1 | 0.7 | |
| OTS | 4-(2S-AMINO-1-HYDROXYETHYL)PHENOL | A,B | 1RH0 | 0.7 | |
| OTS | 4-(2S-AMINO-1-HYDROXYETHYL)PHENOL | A,B | 1RGU | 0.7 | |
| OTS | 4-(2S-AMINO-1-HYDROXYETHYL)PHENOL | A,B | 1RGT | 0.7 | |
ESL | ESTRIOL | A | 1X8V | 0.71 | |
AEG | 4-[(2R)-2-aminopropyl]phenol | A | 3BUF | 0.76 | |
E3O | (16ALPHA,17ALPHA)-ESTRA-1,3,5(10)- TRIENE-3,16,17-TRIOL | A | 2J7Y | 0.71 | |
DIN | 1,6-DIHYDROXY NAPHTHALENE | A | 1ZB6 | 0.73 | |
D1N | NAPHTHALENE-1,2-DIOL | A | 2EI1 | 0.79 | |
B3Y | (3S)-3-AMINO-4-(4-HYDROXYPHENYL)BUTANOIC ACID | A | 3HF0 | 0.7 | |
| B3Y | (3S)-3-AMINO-4-(4-HYDROXYPHENYL)BUTANOIC ACID | A | 2OXK | 0.7 | |
| B3Y | (3S)-3-AMINO-4-(4-HYDROXYPHENYL)BUTANOIC ACID | A,B,C | 2OXJ | 0.7 | |
BP7 | 1,1'-BIPHENYL-3,4-DIOL | A | 2EI0 | 0.78 | |
2MP | 3,4-DIMETHYLPHENOL | A | 1L5O | 0.73 | |
BP3 | 2'-CHLORO-BIPHENYL-2,3-DIOL | A | 1LGT | 0.7 | |
OTR | 4-(2R-AMINO-1-HYDROXYETHYL)PHENOL | A,B | 1RGT | 0.7 | |
| OTR | 4-(2R-AMINO-1-HYDROXYETHYL)PHENOL | A,B | 1RG2 | 0.7 | |
| OTR | 4-(2R-AMINO-1-HYDROXYETHYL)PHENOL | A,B | 2AN4 | 0.7 | |
BM4 | 3-[(3R)-3-ethyl-1-{9-[(3S)-3-ethyl- 3-(3-hydroxyphenyl)azepan-1-yl]nonyl}azepan- 3-yl]phenol | X | 2W6C | 0.79 | |
MTY | META-TYROSINE | A | 2TOH | 0.72 | |
| MTY | META-TYROSINE | A,B | 1BIQ | 0.72 | |
| MTY | META-TYROSINE | A | 1Q7O | 0.72 | |
LNR | L-NOREPINEPHRINE | A,B | 2QEO | 0.76 | |
| LNR | L-NOREPINEPHRINE | A | 3DYE | 0.76 | |
| LNR | L-NOREPINEPHRINE | A | 4PAH | 0.76 | |
RHP | (3R)-3-(PROP-2-YNYLAMINO)INDAN- 5-OL | A,B | 1S3E | 0.74 | |
EPT | HEPTANYL-P-PHENOL | A,B | 1AHZ | 0.7 | |
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 | |
AOE | N-BUTYL-11-[(7R,8R,9S,13S,14S,17S)- 3,17-DIHYDROXY-13-METHYL-7,8,9,11,12,13,14,15,16,17- DECAHYDRO-6H-CYCLOPENTA[A]PHENANTHREN- 7-YL]-N-METHYLUNDECANAMIDE | A | 1HJ1 | 0.72 | |
5PP | 5-PENTYL-2-PHENOXYPHENOL | A,B,C,D,E,F | 2B36 | 0.7 | |
8PS | 5-OCTYL-2-PHENOXYPHENOL | A,B,C,D,E,F | 2B37 | 0.7 | |
PIT | PICEATANNOL | A,B,C,D,E,F, G,H,I,J,K,L, M,N | 2JJ1 | 0.71 | |
BPY | BIPHENYL-2,3-DIOL | A | 1KMY | 0.76 | |
| BPY | BIPHENYL-2,3-DIOL | B | 1KW8 | 0.76 | |
| BPY | BIPHENYL-2,3-DIOL | A | 2EI3 | 0.76 | |
| BPY | BIPHENYL-2,3-DIOL | A | 1EIR | 0.76 | |
| BPY | BIPHENYL-2,3-DIOL | B | 1KW6 | 0.76 | |
| BPY | BIPHENYL-2,3-DIOL | B | 1KWC | 0.76 | |
| BPY | BIPHENYL-2,3-DIOL | B | 1KW9 | 0.76 | |
2OH | 4,4'-PROPANE-2,2-DIYLDIPHENOL | A | 2E2R | 0.73 | |
| 2OH | 4,4'-PROPANE-2,2-DIYLDIPHENOL | A | 2P7G | 0.73 | |
1NP | 1-NAPHTHOL | X | 2ZVQ | 0.73 | |
C3D | (5R,6S)-6-PHENYL-5-[4-(2-PYRROLIDIN- 1-YLETHOXY)PHENYL]-5,6,7,8-TETRAHYDRONAPHTHALEN- 2-OL | A | 2OUZ | 0.7 | |
AEF | 4-(2-aminoethyl)phenol | A | 3BRA | 0.73 | |
ECS | 2,3,17BETA-TRIHYDROXY-1,3,5(10)- ESTRATRIENE | A,B,C,D | 2BW7 | 0.74 | |
REN | (S)-reticuline | A | 3FWA | 0.81 | |
| REN | (S)-reticuline | A | 3D2D | 0.81 | |
TTL | TRANS-(1S,2S)-2-AMINO-1,2,3,4-TETRAHYDRONAPHTHALEN- 1-OL | A,B | 2AN5 | 0.71 | |
HXS | 4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenol | A,B | 3CV6 | 0.73 | |
RM2 | 4-HYDROXY-N-PROPARGYL-1(R)-AMINOINDAN | A,B | 2C66 | 0.73 | |
ALE | L-EPINEPHRINE | A | 3PAH | 0.79 | |
| ALE | L-EPINEPHRINE | A | 2HKK | 0.79 | |
SLX | (13aS)-3,10-dimethoxy-5,8,13,13a- tetrahydro-6H-isoquino[3,2-a]isoquinoline- 2,9-diol | A | 3FW9 | 0.78 | |
DAH | 3,4-DIHYDROXYPHENYLALANINE | A,B | 1RNR | 0.76 | |
| DAH | 3,4-DIHYDROXYPHENYLALANINE | A | 6PAH | 0.76 | |
| DAH | 3,4-DIHYDROXYPHENYLALANINE | A,B | 1IVV | 0.76 | |
3QC | (4R)-4-(3-HYDROXYPHENYL)-N,N,7,8- TETRAMETHYL-3,4-DIHYDROISOQUINOLINE- 2(1H)-CARBOXAMIDE | A,B | 2FME | 0.75 | |
MA0 | (1R)-6-HYDROXY-N-METHYL-N-[(1Z)- PROP-2-EN-1-YLIDENE]INDAN-1-AMINIUM | A,B | 2C64 | 0.76 | |
AED | 4-(2-aminoethyl)-2-cyclohexylphenol | A | 3BUH | 0.75 | |
AHT | 4-(2,5-DIAMINO-5-HYDROXY-PENTYL)- PHENOL | I,T | 1TMB | 0.73 | |
CTL | CIS-(1R,2S)-2-AMINO-1,2,3,4-TETRAHYDRONAPHTHALEN- 1-OL | A,B | 2AN3 | 0.71 | |
1OH | 4-(1-methyl-1-phenylethyl)phenol | A | 2ZAS | 0.72 | |
MCT | 4-METHYLCATECHOL | A | 1L4G | 0.75 | |
| MCT | 4-METHYLCATECHOL | A | 2EHZ | 0.75 | |
| MCT | 4-METHYLCATECHOL | A,B | 1DMH | 0.75 | |