Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02333919
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 | ![]() |
A18![]() | 5-(2-CHLOROBENZYL)-2-FUROIC ACID | A | 2Q96 | 0.76 | ![]() |
DDC![]() | 7-HYDROXY-2-PHENYL-CHROMAN-4-ONE | A,B | 1FM8 | 0.71 | ![]() |
NOA![]() | NAPHTHYLOXYACETIC ACID | A,B,I | 1HIV | 0.71 | ![]() |
NOA![]() | NAPHTHYLOXYACETIC ACID | I | 1IVP | 0.71 | ![]() |
DFL![]() | 2-(4-HYDROXY-PHENYL)-CHROMAN-4- ONE | A,B | 1JEP | 0.71 | ![]() |
FCD![]() | 5-(2-CHLOROPHENYL)FURAN-2-CARBOXYLIC ACID | A | 1XNZ | 0.75 | ![]() |
ANN![]() | 4-METHOXYBENZOIC ACID | A | 2B96 | 0.74 | ![]() |
ANN![]() | 4-METHOXYBENZOIC ACID | A | 2QUE | 0.74 | ![]() |
ANN![]() | 4-METHOXYBENZOIC ACID | A | 1SV3 | 0.74 | ![]() |
ANN![]() | 4-METHOXYBENZOIC ACID | A | 1O2E | 0.74 | ![]() |
ANN![]() | 4-METHOXYBENZOIC ACID | A,B,C,D | 3CBI | 0.74 | ![]() |
MPB![]() | 4-HYDROXY-BENZOIC ACID METHYL ESTER | B,C,D | 2VK0 | 0.7 | ![]() |
MPB![]() | 4-HYDROXY-BENZOIC ACID METHYL ESTER | A,B,D | 3MTH | 0.7 | ![]() |
VNL![]() | 4-HYDROXY-3-METHOXYBENZOATE | A,B,C,D | 2AHC | 0.74 | ![]() |
VNL![]() | 4-HYDROXY-3-METHOXYBENZOATE | A | 1XLR | 0.74 | ![]() |
697![]() | 5-HYDROXY-2-(4-HYDROXYPHENYL)-1- BENZOFURAN-7-CARBONITRILE | A,B | 1X76 | 0.79 | ![]() |
MYU![]() | 3,5,6,7-TETRAHYDROXY-2-(3,4-DIHYDROXYPHENYL)- 4H-CHROMEN-4-ONE | A | 2O64 | 0.71 | ![]() |
VII![]() | 2,5-DIPHENYLFURAN-3,4-DICARBOXYLIC ACID | A,B | 2GFK | 0.7 | ![]() |
244![]() | [5-HYDROXY-2-(4-HYDROXYPHENYL)- 1-BENZOFURAN-7-YL]ACETONITRILE | A,B | 1X78 | 0.79 | ![]() |
244![]() | [5-HYDROXY-2-(4-HYDROXYPHENYL)- 1-BENZOFURAN-7-YL]ACETONITRILE | A,B | 1X7E | 0.79 | ![]() |
FLN![]() | 2-PHENYL-4H-CHROMEN-4-ONE | A | 2G0L | 0.72 | ![]() |
REF![]() | 2,3,7,8-tetrahydroxychromeno[5,4,3- cde]chromene-5,10-dione | A | 2ZJW | 0.7 | ![]() |
B29![]() | [2-(3-DIBENZOFURAN-4-YL-PHENYL)- 1-HYDROXY-1-PHOSPHONO-ETHYL]-PHOSPHONIC ACID | A,B | 2E98 | 0.75 | ![]() |
B29![]() | [2-(3-DIBENZOFURAN-4-YL-PHENYL)- 1-HYDROXY-1-PHOSPHONO-ETHYL]-PHOSPHONIC ACID | A,B | 2E93 | 0.75 | ![]() |
LRG![]() | (2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acid | A | 3B3K | 0.71 | ![]() |
LRG![]() | (2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acid | A | 3D6D | 0.71 | ![]() |
R19![]() | ALLYL-{6-[3-(4-BROMO-PHENYL)-BENZOFURAN- 6-YLOXY]-HEXYL-}-METHYL-AMIN | A,B,C | 1O6R | 0.72 | ![]() |
MPP![]() | 3-(3,4-DIMETHOXYPHENYL)PROPIONIC ACID | A,B | 2AY3 | 0.72 | ![]() |
NCZ![]() | 2-HYDROXY-7-METHOXY-5-METHYL-NAPHTHALENE- 1-CARBOXYLIC ACID MESO-2,5-DIHYDROXY- CYCLOPENT-3-ENYL ESTER | A | 1J5I | 0.72 | ![]() |
MYC![]() | 3,5,7-TRIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)- 4H-CHROMEN-4-ONE | A,B,C,D | 3C1T | 0.71 | ![]() |
MYC![]() | 3,5,7-TRIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)- 4H-CHROMEN-4-ONE | A | 2O63 | 0.71 | ![]() |
MYC![]() | 3,5,7-TRIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)- 4H-CHROMEN-4-ONE | A | 1E90 | 0.71 | ![]() |
MYC![]() | 3,5,7-TRIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)- 4H-CHROMEN-4-ONE | A,B,C,D | 2IOD | 0.71 | ![]() |
TDS![]() | 8-HYDROXY-5,7-DIMETHOXY-3-METHYL- 2-TRIDECYL-4H-CHROMEN-4-ONE | A,B,C,D,L,R | 1Q90 | 0.71 | ![]() |
TDS![]() | 8-HYDROXY-5,7-DIMETHOXY-3-METHYL- 2-TRIDECYL-4H-CHROMEN-4-ONE | A,B,C,D,G | 2E76 | 0.71 | ![]() |
TDS![]() | 8-HYDROXY-5,7-DIMETHOXY-3-METHYL- 2-TRIDECYL-4H-CHROMEN-4-ONE | A,B,C,D,E,N, O,P,Q,R | 1VF5 | 0.71 | ![]() |
MYF![]() | 5,7-DIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)- 4H-CHROMEN-4-ONE | A | 2O65 | 0.71 | ![]() |
FC2![]() | 5-(2,5-DICHLOROPHENYL)-2-FUROIC ACID | A | 2EVM | 0.74 | ![]() |
L41![]() | {4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]phenoxy}acetic acid | A,B | 3D5F | 0.72 | ![]() |
MGI![]() | methyl 4-(2,3-dihydroxy-5-methylphenoxy)- 2-hydroxy-6-methylbenzoate | A | 2ZA0 | 0.74 | ![]() |
8MO![]() | METHOXSALEN | A,B,C,D | 1Z11 | 0.86 | ![]() |
DBF![]() | DIBENZOFURAN-4,6-DICARBOXYLIC ACID | B | 1DVU | 0.74 | ![]() |
BHF![]() | 2-PHENYL-4H-BENZO[H]CHROMEN-4-ONE | A | 2HI4 | 0.71 | ![]() |
PSO![]() | 4'-HYDROXYMETHYL-4,5',8-TRIMETHYLPSORALEN | A,B | 1FHY | 0.75 | ![]() |
PSO![]() | 4'-HYDROXYMETHYL-4,5',8-TRIMETHYLPSORALEN | B | 204D | 0.75 | ![]() |
PSO![]() | 4'-HYDROXYMETHYL-4,5',8-TRIMETHYLPSORALEN | A,B | 2B2B | 0.75 | ![]() |
PSO![]() | 4'-HYDROXYMETHYL-4,5',8-TRIMETHYLPSORALEN | B | 1FHZ | 0.75 | ![]() |
PSO![]() | 4'-HYDROXYMETHYL-4,5',8-TRIMETHYLPSORALEN | A | 203D | 0.75 | ![]() |
FSE![]() | 3,7,3',4'-TETRAHYDROXYFLAVONE | B | 1XO2 | 0.73 | ![]() |
MAX![]() | MATAIRESINOL | A | 2BGM | 0.7 | ![]() |
VXX![]() | VANILLATE | A,B | 1WB6 | 0.76 | ![]() |
SIG![]() | STIGMATELLIN | C,D,E | 2BCC | 0.73 | ![]() |
SIG![]() | STIGMATELLIN | C,D,E | 3BCC | 0.73 | ![]() |
DQH![]() | (2R,3R)-2-(3,4-DIHYDROXYPHENYL)- 3,5,7-TRIHYDROXY-2,3-DIHYDRO-4H- CHROMEN-4-ONE | A | 1GP5 | 0.73 | ![]() |
DQH![]() | (2R,3R)-2-(3,4-DIHYDROXYPHENYL)- 3,5,7-TRIHYDROXY-2,3-DIHYDRO-4H- CHROMEN-4-ONE | D,F | 2C29 | 0.73 | ![]() |
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 | 0.71 | ![]() |
DFV![]() | 7-HYDROXY-2-(4-HYDROXY-PHENYL)- CHROMAN-4-ONE | B,C | 1JX1 | 0.7 | ![]() |
DFV![]() | 7-HYDROXY-2-(4-HYDROXY-PHENYL)- CHROMAN-4-ONE | A,B | 1JX0 | 0.7 | ![]() |
DFV![]() | 7-HYDROXY-2-(4-HYDROXY-PHENYL)- CHROMAN-4-ONE | A,B | 1FM7 | 0.7 | ![]() |
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 | ![]() |
NRO![]() | 3-[5-(2-nitropent-1-en-1-yl)furan- 2-yl]benzoic acid | A,B | 2ZK5 | 0.71 | ![]() |
397![]() | 2-(4-HYDROXY-PHENYL)BENZOFURAN- 5-OL | A,B | 1U9E | 0.84 | ![]() |
300![]() | 2-FORMYL-6-METHOXYPHENYL DIHYDROGEN PHOSPHATE | A | 1O41 | 0.72 | ![]() |
R17![]() | ALLYL-{4-[3-(4-BROMO-PHENYL)-BENZOFURAN- 6-YLOXY]-BUT-2-ENYL}-METHYL-AMINE | A,B,C | 1O6Q | 0.73 | ![]() |
DH2![]() | (2S,3S)-2-(3,4-DIHYDROXYPHENYL)- 3,5,7-TRIHYDROXY-2,3-DIHYDRO-4H- CHROMEN-4-ONE | A | 1GP5 | 0.73 | ![]() |
DH2![]() | (2S,3S)-2-(3,4-DIHYDROXYPHENYL)- 3,5,7-TRIHYDROXY-2,3-DIHYDRO-4H- CHROMEN-4-ONE | A | 1GP6 | 0.73 | ![]() |
AI7![]() | 3-(heptyloxy)benzoic acid | A,B | 2O3Z | 0.72 | ![]() |
FC3![]() | 5-[2-(TRIFLUOROMETHYL)PHENYL]-2- FUROIC ACID | A | 2EVC | 0.79 | ![]() |
A04![]() | 5-[2-(TRIFLUOROMETHOXY)PHENYL]- 2-FUROIC ACID | A | 2Q94 | 0.77 | ![]() |
BVL![]() | (2E)-1-[2-hydroxy-4-methoxy-5-(3- methylbut-2-en-1-yl)phenyl]-3-(4- hydroxyphenyl)prop-2-en-1-one | A | 2ZBH | 0.7 | ![]() |
V55![]() | 4-hydroxy-3-methoxybenzaldehyde | B,D,E,F | 2VSS | 0.74 | ![]() |
V55![]() | 4-hydroxy-3-methoxybenzaldehyde | A,B,D,E,F | 2VSU | 0.74 | ![]() |
BZF![]() | BENZOFURAN | A | 182L | 0.84 | ![]() |
ERD![]() | (2S)-2-(3,4-DIHYDROXYPHENYL)-5,7- DIHYDROXY-2,3-DIHYDRO-4H-CHROMEN- 4-ONE | D,F | 2NNL | 0.72 | ![]() |
QUE![]() | 3,5,7,3',4'-PENTAHYDROXYFLAVONE | A,B,C,D,E,F | 3BXX | 0.73 | ![]() |
QUE![]() | 3,5,7,3',4'-PENTAHYDROXYFLAVONE | A | 2O3P | 0.73 | ![]() |
QUE![]() | 3,5,7,3',4'-PENTAHYDROXYFLAVONE | A,B | 2UXH | 0.73 | ![]() |
QUE![]() | 3,5,7,3',4'-PENTAHYDROXYFLAVONE | A | 1GP6 | 0.73 | ![]() |
QUE![]() | 3,5,7,3',4'-PENTAHYDROXYFLAVONE | A | 2C9Z | 0.73 | ![]() |
QUE![]() | 3,5,7,3',4'-PENTAHYDROXYFLAVONE | A,B,C,D,E,F, G,H,I,J,K,L, M,N | 2JJ2 | 0.73 | ![]() |
QUE![]() | 3,5,7,3',4'-PENTAHYDROXYFLAVONE | A | 3BPT | 0.73 | ![]() |
QUE![]() | 3,5,7,3',4'-PENTAHYDROXYFLAVONE | A,B,C,D,E,F | 3CF8 | 0.73 | ![]() |
QUE![]() | 3,5,7,3',4'-PENTAHYDROXYFLAVONE | A,B | 2HCK | 0.73 | ![]() |
QUE![]() | 3,5,7,3',4'-PENTAHYDROXYFLAVONE | A,B,C,D | 1H1I | 0.73 | ![]() |
QUE![]() | 3,5,7,3',4'-PENTAHYDROXYFLAVONE | A | 1E8W | 0.73 | ![]() |
SYR![]() | SYRINGATE | A,B | 1WB5 | 0.73 | ![]() |
B21![]() | 5-(2-METHOXYPHENYL)-2-FUROIC ACID | A | 2Q93 | 0.81 | ![]() |