Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02433347
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 | ![]() |
WRS![]() | 4-HYDROXY-3-[(1S,3S)-3-HYDROXY- 1-PHENYLBUTYL]-2H-CHROMEN-2-ONE | A | 1HA2 | 0.74 | ![]() |
AFN![]() | 8,9-DIHYDRO-9-HYDROXY-AFLATOXIN B1 | A | 1N1N | 0.72 | ![]() |
GRR![]() | (2S)-2-(4-ethylphenoxy)-3-phenylpropanoic acid | A | 3CDS | 0.8 | ![]() |
RUT![]() | RUTIN | A,B | 1RY8 | 0.76 | ![]() |
STG![]() | ESTRIOL 3-(B-D-GLUCURONIDE) | H | 2BFV | 0.83 | ![]() |
STG![]() | ESTRIOL 3-(B-D-GLUCURONIDE) | H,L | 1BFV | 0.83 | ![]() |
8MO![]() | METHOXSALEN | A,B,C,D | 1Z11 | 0.71 | ![]() |
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 | ![]() |
WRR![]() | 4-HYDROXY-3-[(1S,3R)-3-HYDROXY- 1-PHENYLBUTYL]-2H-CHROMEN-2-ONE | A | 1H9Z | 0.74 | ![]() |
MAX![]() | MATAIRESINOL | A | 2BGM | 0.71 | ![]() |
CA2![]() | (1S,3R,4R,5S)-1,3,4-TRIHYDROXY- 5-(3-PHENOXYPROPYL)CYCLOHEXANECARBOXYLIC ACID | A,B,C,D,E,F, G,H,I,J,K,L | 2BT4 | 0.8 | ![]() |
DZN![]() | DAIDZIN | A,B,C,D,E,F, G,H | 2VLE | 0.76 | ![]() |
AZ2![]() | (2S)-2-ETHOXY-3-[4-(2-{4-[(METHYLSULFONYL)OXY]PHENYL}ETHOXY)PHENYL]PROPANOIC ACID | A,B | 1I7I | 0.77 | ![]() |
AZ2![]() | (2S)-2-ETHOXY-3-[4-(2-{4-[(METHYLSULFONYL)OXY]PHENYL}ETHOXY)PHENYL]PROPANOIC ACID | A | 1I7G | 0.77 | ![]() |
YZ9![]() | 7-HYDROXY-2-OXO-CHROMENE-3-CARBOXYLIC ACID ETHYL ESTER | A,B,C | 1GCZ | 0.71 | ![]() |
B21![]() | 5-(2-METHOXYPHENYL)-2-FUROIC ACID | A | 2Q93 | 0.73 | ![]() |
DFV![]() | 7-HYDROXY-2-(4-HYDROXY-PHENYL)- CHROMAN-4-ONE | B,C | 1JX1 | 0.71 | ![]() |
DFV![]() | 7-HYDROXY-2-(4-HYDROXY-PHENYL)- CHROMAN-4-ONE | A,B | 1JX0 | 0.71 | ![]() |
DFV![]() | 7-HYDROXY-2-(4-HYDROXY-PHENYL)- CHROMAN-4-ONE | A,B | 1FM7 | 0.71 | ![]() |
NAR![]() | NARINGENIN | A,B | 2UXU | 0.71 | ![]() |
NAR![]() | NARINGENIN | A | 2BRT | 0.71 | ![]() |
NAR![]() | NARINGENIN | A | 1CGK | 0.71 | ![]() |
NAR![]() | NARINGENIN | A,B | 1EYQ | 0.71 | ![]() |
7CA![]() | 5,7-DIHYDROXY-2-(4-METHOXYPHENYL)- 8-(3-METHYLBUTYL)-4-OXO-4H-CHROMEN- 3-YL 6-DEOXY-ALPHA-L-MANNOPYRANOSIDE | A | 2H44 | 0.78 | ![]() |
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 | 0.74 | ![]() |
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 | 0.73 | ![]() |
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 | 1HLK | 0.73 | ![]() |
2HI![]() | (2S,3R)-2,7-DIHYDROXY-3-(4-HYDROXYPHENYL)- 2,3-DIHYDRO-4H-CHROMEN-4-ONE | A | 1ZG3 | 0.71 | ![]() |
LRG![]() | (2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acid | A | 3B3K | 0.76 | ![]() |
LRG![]() | (2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acid | A | 3D6D | 0.76 | ![]() |
BDS![]() | 2,3-BIS-BENZO[1,3]DIOXOL-5-YLMETHYL- SUCCINIC ACID | A,B | 1JJT | 0.72 | ![]() |
MPP![]() | 3-(3,4-DIMETHOXYPHENYL)PROPIONIC ACID | A,B | 2AY3 | 0.72 | ![]() |
ANN![]() | 4-METHOXYBENZOIC ACID | A | 2B96 | 0.72 | ![]() |
ANN![]() | 4-METHOXYBENZOIC ACID | A | 2QUE | 0.72 | ![]() |
ANN![]() | 4-METHOXYBENZOIC ACID | A | 1SV3 | 0.72 | ![]() |
ANN![]() | 4-METHOXYBENZOIC ACID | A | 1O2E | 0.72 | ![]() |
ANN![]() | 4-METHOXYBENZOIC ACID | A,B,C,D | 3CBI | 0.72 | ![]() |
G24![]() | [4-(3-BENZYL-4-HYDROXYBENZYL)-3,5- DIMETHYLPHENOXY]ACETIC ACID | A | 1Q4X | 0.72 | ![]() |
HXP![]() | 3,6-DIHYDROXY-XANTHENE-9-PROPIONIC ACID | A | 1XAN | 0.71 | ![]() |
AI7![]() | 3-(heptyloxy)benzoic acid | A,B | 2O3Z | 0.71 | ![]() |
S1A![]() | SORAPHEN A | A,B | 3GID | 0.77 | ![]() |
S1A![]() | SORAPHEN A | A,B,C | 1W96 | 0.77 | ![]() |
HOM![]() | 7-HYDROXY-4-METHYL-3-(2-HYDROXY- ETHYL)COUMARIN | C,D | 1CJF | 0.73 | ![]() |
BYS![]() | 2-BENZO[1,3]DIOXOL-5-YLMETHYL-3- BENZYL-SUCCINIC ACID | A,B | 1JJE | 0.72 | ![]() |
L41![]() | {4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]phenoxy}acetic acid | A,B | 3D5F | 0.77 | ![]() |
CIO![]() | CILOMILAST | A,B | 1XOM | 0.7 | ![]() |
CIO![]() | CILOMILAST | A,B | 1XLX | 0.7 | ![]() |
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 | ![]() |
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 | 0.75 | ![]() |
MUG![]() | 4-METHYLUMBELLIFERYL-ALPHA-D-GLUCOSE | A,B,C,D | 1CJP | 0.8 | ![]() |
2C2![]() | (2S)-2-HYDROXY-2H-CHROMENE-2-CARBOXYLIC ACID | A | 2IME | 0.73 | ![]() |
2C2![]() | (2S)-2-HYDROXY-2H-CHROMENE-2-CARBOXYLIC ACID | A | 2IMD | 0.73 | ![]() |
DDC![]() | 7-HYDROXY-2-PHENYL-CHROMAN-4-ONE | A,B | 1FM8 | 0.7 | ![]() |
U03![]() | 4-HYDROXY-7-METHOXY-3-(1-PHENYL- PROPYL)-CHROMEN-2-ONE | A | 3UPJ | 0.71 | ![]() |
E3G![]() | ESTRONE BETA-D-GLUCURONIDE | H,L | 1CFV | 0.83 | ![]() |
NOA![]() | NAPHTHYLOXYACETIC ACID | A,B,I | 1HIV | 0.7 | ![]() |
NOA![]() | NAPHTHYLOXYACETIC ACID | I | 1IVP | 0.7 | ![]() |
VXX![]() | VANILLATE | A,B | 1WB6 | 0.71 | ![]() |
FX3![]() | 5-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop- 2-enoyl]-alpha-L-ribofuranose | A | 2VGD | 0.73 | ![]() |
TRT![]() | FRAGMENT OF TRITON X-100 | A,E | 2I0U | 0.71 | ![]() |
TRT![]() | FRAGMENT OF TRITON X-100 | A,B | 1OIZ | 0.71 | ![]() |
KMP![]() | 3,5,7-TRIHYDROXY-2-(4-HYDROXYPHENYL)- 4H-CHROMEN-4-ONE | A,B,C,D | 1H1M | 0.7 | ![]() |
KMP![]() | 3,5,7-TRIHYDROXY-2-(4-HYDROXYPHENYL)- 4H-CHROMEN-4-ONE | A | 2C1Z | 0.7 | ![]() |
OFF![]() | 2-DEOXY-3,4-BIS-O-[3-(4-HYDROXYPHENYL)PROPANOYL]- L-THREO-PENTARIC ACID | A | 2OFF | 0.77 | ![]() |
4HY![]() | [4-(4-HYDROXY-3-IODO-PHENOXY)-3,5- DIIODO-PHENYL]-ACETIC ACID | A | 2PIT | 0.7 | ![]() |
4HY![]() | [4-(4-HYDROXY-3-IODO-PHENOXY)-3,5- DIIODO-PHENYL]-ACETIC ACID | A | 1NQ1 | 0.7 | ![]() |
4HY![]() | [4-(4-HYDROXY-3-IODO-PHENOXY)-3,5- DIIODO-PHENYL]-ACETIC ACID | A | 2PIU | 0.7 | ![]() |
4HY![]() | [4-(4-HYDROXY-3-IODO-PHENOXY)-3,5- DIIODO-PHENYL]-ACETIC ACID | A | 2PKL | 0.7 | ![]() |
4HY![]() | [4-(4-HYDROXY-3-IODO-PHENOXY)-3,5- DIIODO-PHENYL]-ACETIC ACID | A,B | 3D57 | 0.7 | ![]() |
4HY![]() | [4-(4-HYDROXY-3-IODO-PHENOXY)-3,5- DIIODO-PHENYL]-ACETIC ACID | A | 1NQ2 | 0.7 | ![]() |
4HY![]() | [4-(4-HYDROXY-3-IODO-PHENOXY)-3,5- DIIODO-PHENYL]-ACETIC ACID | A | 2QPY | 0.7 | ![]() |
4HY![]() | [4-(4-HYDROXY-3-IODO-PHENOXY)-3,5- DIIODO-PHENYL]-ACETIC ACID | A | 1NQ0 | 0.7 | ![]() |
4HY![]() | [4-(4-HYDROXY-3-IODO-PHENOXY)-3,5- DIIODO-PHENYL]-ACETIC ACID | A | 1NUO | 0.7 | ![]() |
4HY![]() | [4-(4-HYDROXY-3-IODO-PHENOXY)-3,5- DIIODO-PHENYL]-ACETIC ACID | A,B | 2PIN | 0.7 | ![]() |
SHP![]() | (4-HYDROXYMALTOSEPHENYL)GLYCINE | A | 1DSR | 0.75 | ![]() |
PFI![]() | (6S)-6-CYCLOPENTYL-6-[2-(3-FLUORO- 4-ISOPROPOXYPHENYL)ETHYL]-4-HYDROXY- 5,6-DIHYDRO-2H-PYRAN-2-ONE | A | 2HAI | 0.71 | ![]() |
MGI![]() | methyl 4-(2,3-dihydroxy-5-methylphenoxy)- 2-hydroxy-6-methylbenzoate | A | 2ZA0 | 0.72 | ![]() |
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 | 0.72 | ![]() |
SAK![]() | (2S)-5-hydroxy-2-(4-hydroxyphenyl)- 7-methoxy-2,3-dihydro-4H-chromen- 4-one | A,B,C,D,E,F | 3D04 | 0.72 | ![]() |
YRG![]() | (2S)-2-(4-chlorophenoxy)-3-phenylpropanoic acid | A | 3CDP | 0.72 | ![]() |
NCZ![]() | 2-HYDROXY-7-METHOXY-5-METHYL-NAPHTHALENE- 1-CARBOXYLIC ACID MESO-2,5-DIHYDROXY- CYCLOPENT-3-ENYL ESTER | A | 1J5I | 0.71 | ![]() |
DBA![]() | (2,6-DIMETHYL-PHENOXY)-ACETIC ACID | A,B | 1IDB | 0.73 | ![]() |
BRZ![]() | 6-(1,1-DIMETHYLALLYL)-2-(1-HYDROXY- 1-METHYLETHYL)-2,3-DIHYDRO-7H-FURO[3,2- G]CHROMEN-7-ONE | C | 1K3T | 0.71 | ![]() |