Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02459342
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 |
SMA | STIGMATELLIN A | A,C,D,E,N,P, Q,R | 3H1I | 0.71 |  |
| SMA | STIGMATELLIN A | A,B,C,D,E,F, G,O,P,Q,R,S,T | 1PPJ | 0.71 | |
| SMA | STIGMATELLIN A | A,C,D,E,L,N, O,P,W | 3CXH | 0.71 | |
| SMA | STIGMATELLIN A | C,D,E,P,Q,R | 1ZRT | 0.71 | |
| SMA | STIGMATELLIN A | C,H,L,M | 2JBL | 0.71 | |
| SMA | STIGMATELLIN A | A,B,C,D,E,F, G,I,N,O,P,Q, R,S,T,U,V,W | 2A06 | 0.71 | |
| SMA | STIGMATELLIN A | A,B,C,D,E,F, G,H,I,J,K,L | 2QJP | 0.71 | |
| SMA | STIGMATELLIN A | A,C,D,E | 1KB9 | 0.71 | |
| SMA | STIGMATELLIN A | A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P,Q,R | 2QJK | 0.71 | |
| SMA | STIGMATELLIN A | A,B,C,D,E,F, G,N,O,P,Q,R, S,T | 1PP9 | 0.71 | |
| SMA | STIGMATELLIN A | C,D,E | 2IBZ | 0.71 | |
| SMA | STIGMATELLIN A | A,C,D,E,L,N, O,P,W | 3CX5 | 0.71 | |
| SMA | STIGMATELLIN A | A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P,Q,R | 2FYN | 0.71 | |
| SMA | STIGMATELLIN A | A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P,Q,R | 2QJY | 0.71 | |
| SMA | STIGMATELLIN A | C,D,E | 1EZV | 0.71 | |
| SMA | STIGMATELLIN A | C,D,E,N,O,P,W | 1KYO | 0.71 | |
| SMA | STIGMATELLIN A | A,C,D,E,G,N, P,Q,R,S | 3H1J | 0.71 | |
| SMA | STIGMATELLIN A | C,D,E | 1SQX | 0.71 | |
HMY | (1aR,8S,13S,14S,15aR)-5,13,14-trihydroxy- 3-methoxy-8-methyl-8,9,13,14,15,15a- hexahydro-6H-oxireno[k][2]benzoxacyclotetradecine- 6,12(1aH)-dione | A,B | 3C9W | 0.72 | |
7CA | 5,7-DIHYDROXY-2-(4-METHOXYPHENYL)- 8-(3-METHYLBUTYL)-4-OXO-4H-CHROMEN- 3-YL 6-DEOXY-ALPHA-L-MANNOPYRANOSIDE | A | 2H44 | 0.73 | |
113 | 7,8-DIHYDROXY-1-METHOXY-3-METHYL- 10-OXO-4,10-DIHYDRO-1H,3H-PYRANO[4,3- B]CHROMENE-9-CARBOXYLIC ACID | A,B | 1KR3 | 0.7 | |
| 113 | 7,8-DIHYDROXY-1-METHOXY-3-METHYL- 10-OXO-4,10-DIHYDRO-1H,3H-PYRANO[4,3- B]CHROMENE-9-CARBOXYLIC ACID | A,B | 1HLK | 0.7 | |
DH2 | (2S,3S)-2-(3,4-DIHYDROXYPHENYL)- 3,5,7-TRIHYDROXY-2,3-DIHYDRO-4H- CHROMEN-4-ONE | A | 1GP5 | 0.71 | |
| DH2 | (2S,3S)-2-(3,4-DIHYDROXYPHENYL)- 3,5,7-TRIHYDROXY-2,3-DIHYDRO-4H- CHROMEN-4-ONE | A | 1GP6 | 0.71 | |
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 | 0.7 | |
U03 | 4-HYDROXY-7-METHOXY-3-(1-PHENYL- PROPYL)-CHROMEN-2-ONE | A | 3UPJ | 0.72 | |
2HI | (2S,3R)-2,7-DIHYDROXY-3-(4-HYDROXYPHENYL)- 2,3-DIHYDRO-4H-CHROMEN-4-ONE | A | 1ZG3 | 0.71 | |
S1A | SORAPHEN A | A,B | 3GID | 0.7 | |
| S1A | SORAPHEN A | A,B,C | 1W96 | 0.7 | |
HMK | (6AR,12AR)-6H-[1,3]DIOXOLO[5,6][1]BENZOFURO[3,2- C]CHROMENE-3,6A(12AH)-DIOL | A | 1ZGA | 0.77 | |
NCZ | 2-HYDROXY-7-METHOXY-5-METHYL-NAPHTHALENE- 1-CARBOXYLIC ACID MESO-2,5-DIHYDROXY- CYCLOPENT-3-ENYL ESTER | A | 1J5I | 0.72 | |
P1S | (6AR,12AR)-3-(HYDROXYMETHYL)-6H- [1,3]DIOXOLO[5,6][1]BENZOFURO[3,2- C]CHROMEN-6A(12AH)-OL | A | 1ZGJ | 0.78 | |
MUG | 4-METHYLUMBELLIFERYL-ALPHA-D-GLUCOSE | A,B,C,D | 1CJP | 0.72 | |
EMF | ethyl (1S,2S)-2-(4-hydroxy-3-methoxyphenyl)cyclopropanecarboxylate | A,B | 2QZZ | 0.71 | |
| EMF | ethyl (1S,2S)-2-(4-hydroxy-3-methoxyphenyl)cyclopropanecarboxylate | A,B | 2R2G | 0.71 | |
JJ3 | (3AS,4R,9BR)-4-(4-HYDROXYPHENYL)- 6-(METHOXYMETHYL)-1,2,3,3A,4,9B- HEXAHYDROCYCLOPENTA[C]CHROMEN-8- OL | A,B | 2JJ3 | 0.7 | |
| JJ3 | (3AS,4R,9BR)-4-(4-HYDROXYPHENYL)- 6-(METHOXYMETHYL)-1,2,3,3A,4,9B- HEXAHYDROCYCLOPENTA[C]CHROMEN-8- OL | A,B | 2QE4 | 0.7 | |
AFN | 8,9-DIHYDRO-9-HYDROXY-AFLATOXIN B1 | A | 1N1N | 0.75 | |
DQH | (2R,3R)-2-(3,4-DIHYDROXYPHENYL)- 3,5,7-TRIHYDROXY-2,3-DIHYDRO-4H- CHROMEN-4-ONE | A | 1GP5 | 0.71 | |
| DQH | (2R,3R)-2-(3,4-DIHYDROXYPHENYL)- 3,5,7-TRIHYDROXY-2,3-DIHYDRO-4H- CHROMEN-4-ONE | D,F | 2C29 | 0.71 | |
POD | 9-HYDROXY-5-(3,4,5-TRIMETHOXYPHENYL)- 5,8,8A,9-TETRAHYDROFURO[3',4':6,7]NAPHTHO[2,3- D][1,3]DIOXOL-6(5AH)-ONE | A,B,C,D | 1SA1 | 0.88 | |
MAX | MATAIRESINOL | A | 2BGM | 0.77 | |
ODE | DIETHYL (1R,2S,3R,4S)-5,6-BIS(4- HYDROXYPHENYL)-7-OXABICYCLO[2.2.1]HEPT- 5-ENE-2,3-DICARBOXYLATE | A,B | 2QH6 | 0.74 | |
RUT | RUTIN | A,B | 1RY8 | 0.72 | |
HXP | 3,6-DIHYDROXY-XANTHENE-9-PROPIONIC ACID | A | 1XAN | 0.73 | |
STG | ESTRIOL 3-(B-D-GLUCURONIDE) | H | 2BFV | 0.75 | |
| STG | ESTRIOL 3-(B-D-GLUCURONIDE) | H,L | 1BFV | 0.75 | |
ERD | (2S)-2-(3,4-DIHYDROXYPHENYL)-5,7- DIHYDROXY-2,3-DIHYDRO-4H-CHROMEN- 4-ONE | D,F | 2NNL | 0.7 | |
MGI | methyl 4-(2,3-dihydroxy-5-methylphenoxy)- 2-hydroxy-6-methylbenzoate | A | 2ZA0 | 0.72 | |
FX3 | 5-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop- 2-enoyl]-alpha-L-ribofuranose | A | 2VGD | 0.72 | |
WRR | 4-HYDROXY-3-[(1S,3R)-3-HYDROXY- 1-PHENYLBUTYL]-2H-CHROMEN-2-ONE | A | 1H9Z | 0.71 | |
E3G | ESTRONE BETA-D-GLUCURONIDE | H,L | 1CFV | 0.76 | |
BYS | 2-BENZO[1,3]DIOXOL-5-YLMETHYL-3- BENZYL-SUCCINIC ACID | A,B | 1JJE | 0.79 | |
SIG | STIGMATELLIN | C,D,E | 2BCC | 0.7 | |
| SIG | STIGMATELLIN | C,D,E | 3BCC | 0.7 | |
BDS | 2,3-BIS-BENZO[1,3]DIOXOL-5-YLMETHYL- SUCCINIC ACID | A,B | 1JJT | 0.81 | |
DZN | DAIDZIN | A,B,C,D,E,F, G,H | 2VLE | 0.73 | |
MOA | MYCOPHENOLIC ACID | A | 1ME7 | 0.71 | |
| MOA | MYCOPHENOLIC ACID | A,B | 1JR1 | 0.71 | |
| MOA | MYCOPHENOLIC ACID | A | 1MEI | 0.71 | |
| MOA | MYCOPHENOLIC ACID | A | 1MEH | 0.71 | |
CIO | CILOMILAST | A,B | 1XOM | 0.71 | |
| CIO | CILOMILAST | A,B | 1XLX | 0.71 | |
WRS | 4-HYDROXY-3-[(1S,3S)-3-HYDROXY- 1-PHENYLBUTYL]-2H-CHROMEN-2-ONE | A | 1HA2 | 0.71 | |