Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00434224
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 |
C62![]() | 4-{5-[(Z)-(2,4-DIOXO-1,3-THIAZOLIDIN- 5-YLIDENE)METHYL]FURAN-2-YL}BENZENESULFONAMIDE | A | 2UZO | 0.71 | ![]() |
A18![]() | 5-(2-CHLOROBENZYL)-2-FUROIC ACID | A | 2Q96 | 0.76 | ![]() |
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 | 0.72 | ![]() |
FCD![]() | 5-(2-CHLOROPHENYL)FURAN-2-CARBOXYLIC ACID | A | 1XNZ | 0.75 | ![]() |
VXX![]() | VANILLATE | A,B | 1WB6 | 0.72 | ![]() |
WRS![]() | 4-HYDROXY-3-[(1S,3S)-3-HYDROXY- 1-PHENYLBUTYL]-2H-CHROMEN-2-ONE | A | 1HA2 | 0.73 | ![]() |
WRR![]() | 4-HYDROXY-3-[(1S,3R)-3-HYDROXY- 1-PHENYLBUTYL]-2H-CHROMEN-2-ONE | A | 1H9Z | 0.73 | ![]() |
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 | 0.7 | ![]() |
NGV![]() | METHYL 5,7-DIHYDROXY-2-METHYL-4,6,11- TRIOXO-3,4,6,11-TETRAHYDROTETRACENE- 1-CARBOXYLATE | A,B,C,D | 2F98 | 0.7 | ![]() |
NGV![]() | METHYL 5,7-DIHYDROXY-2-METHYL-4,6,11- TRIOXO-3,4,6,11-TETRAHYDROTETRACENE- 1-CARBOXYLATE | A | 1SJW | 0.7 | ![]() |
C95![]() | 4-{5-[(Z)-(2-IMINO-4-OXO-1,3-THIAZOLIDIN- 5-YLIDENE)METHYL]FURAN-2-YL}BENZOIC ACID | A,C | 2UZE | 0.78 | ![]() |
MOA![]() | MYCOPHENOLIC ACID | A | 1ME7 | 0.72 | ![]() |
MOA![]() | MYCOPHENOLIC ACID | A,B | 1JR1 | 0.72 | ![]() |
MOA![]() | MYCOPHENOLIC ACID | A | 1MEI | 0.72 | ![]() |
MOA![]() | MYCOPHENOLIC ACID | A | 1MEH | 0.72 | ![]() |
B23![]() | 5-(2-NITROPHENYL)-2-FUROIC ACID | A | 2Q92 | 0.71 | ![]() |
NCZ![]() | 2-HYDROXY-7-METHOXY-5-METHYL-NAPHTHALENE- 1-CARBOXYLIC ACID MESO-2,5-DIHYDROXY- CYCLOPENT-3-ENYL ESTER | A | 1J5I | 0.72 | ![]() |
A04![]() | 5-[2-(TRIFLUOROMETHOXY)PHENYL]- 2-FUROIC ACID | A | 2Q94 | 0.76 | ![]() |
HXP![]() | 3,6-DIHYDROXY-XANTHENE-9-PROPIONIC ACID | A | 1XAN | 0.71 | ![]() |
FLQ![]() | N-[6-(ACETYLAMINO)HEXYL]-3',6'- DIHYDROXY-3-OXO-3H-SPIRO[2-BENZOFURAN- 1,9'-XANTHENE]-6-CARBOXAMIDE | C | 2FDC | 0.73 | ![]() |
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 | ![]() |
VII![]() | 2,5-DIPHENYLFURAN-3,4-DICARBOXYLIC ACID | A,B | 2GFK | 0.77 | ![]() |
MPB![]() | 4-HYDROXY-BENZOIC ACID METHYL ESTER | B,C,D | 2VK0 | 0.73 | ![]() |
MPB![]() | 4-HYDROXY-BENZOIC ACID METHYL ESTER | A,B,D | 3MTH | 0.73 | ![]() |
C1F![]() | 3-CARBOXY-4-METHYL-5-PROPYL-2-FURANPROPIONIC | A,B | 2BXA | 0.7 | ![]() |
RWF![]() | R-WARFARIN | A,B | 2BXD | 0.72 | ![]() |
U03![]() | 4-HYDROXY-7-METHOXY-3-(1-PHENYL- PROPYL)-CHROMEN-2-ONE | A | 3UPJ | 0.71 | ![]() |
PSO![]() | 4'-HYDROXYMETHYL-4,5',8-TRIMETHYLPSORALEN | A,B | 1FHY | 0.73 | ![]() |
PSO![]() | 4'-HYDROXYMETHYL-4,5',8-TRIMETHYLPSORALEN | B | 204D | 0.73 | ![]() |
PSO![]() | 4'-HYDROXYMETHYL-4,5',8-TRIMETHYLPSORALEN | A,B | 2B2B | 0.73 | ![]() |
PSO![]() | 4'-HYDROXYMETHYL-4,5',8-TRIMETHYLPSORALEN | B | 1FHZ | 0.73 | ![]() |
PSO![]() | 4'-HYDROXYMETHYL-4,5',8-TRIMETHYLPSORALEN | A | 203D | 0.73 | ![]() |
AI7![]() | 3-(heptyloxy)benzoic acid | A,B | 2O3Z | 0.74 | ![]() |
MFM![]() | (E)-3-(5((5-(4-CHLOROPHENYL)FURAN- 2-YL)METHYLENE)-4-OXO-2-THIOXOTHIAZOLIDIN- 3-YL)PROPANOIC ACID | A,B | 1ZXV | 0.7 | ![]() |
DBF![]() | DIBENZOFURAN-4,6-DICARBOXYLIC ACID | B | 1DVU | 0.74 | ![]() |
697![]() | 5-HYDROXY-2-(4-HYDROXYPHENYL)-1- BENZOFURAN-7-CARBONITRILE | A,B | 1X76 | 0.78 | ![]() |
FC3![]() | 5-[2-(TRIFLUOROMETHYL)PHENYL]-2- FUROIC ACID | A | 2EVC | 0.8 | ![]() |
QSO![]() | 5,7-dihydroxy-3-(4-methoxyphenyl)- 4H-chromen-4-one | A,B | 2QYO | 0.7 | ![]() |
DTC![]() | BISHYDROXY[2H-1-BENZOPYRAN-2-ONE,1,2- BENZOPYRONE] | A | 2Z9C | 0.71 | ![]() |
DTC![]() | BISHYDROXY[2H-1-BENZOPYRAN-2-ONE,1,2- BENZOPYRONE] | A,B | 1OOQ | 0.71 | ![]() |
DTC![]() | BISHYDROXY[2H-1-BENZOPYRAN-2-ONE,1,2- BENZOPYRONE] | A,B,C,D,E,F, G,H | 2F1O | 0.71 | ![]() |
FLU![]() | 2-(6-HYDROXY-3-OXO-3H-XANTHEN-9- YL)-BENZOIC ACID | L | 1FLR | 0.75 | ![]() |
FLU![]() | 2-(6-HYDROXY-3-OXO-3H-XANTHEN-9- YL)-BENZOIC ACID | A,B | 1N0S | 0.75 | ![]() |
FLU![]() | 2-(6-HYDROXY-3-OXO-3H-XANTHEN-9- YL)-BENZOIC ACID | C,L | 1T66 | 0.75 | ![]() |
FLU![]() | 2-(6-HYDROXY-3-OXO-3H-XANTHEN-9- YL)-BENZOIC ACID | A | 1X9Q | 0.75 | ![]() |
FLU![]() | 2-(6-HYDROXY-3-OXO-3H-XANTHEN-9- YL)-BENZOIC ACID | A,D | 2NMV | 0.75 | ![]() |
SWF![]() | S-WARFARIN | A,B | 1OG5 | 0.72 | ![]() |
AIN![]() | 2-(ACETYLOXY)BENZOIC ACID | A | 3GCL | 0.73 | ![]() |
AIN![]() | 2-(ACETYLOXY)BENZOIC ACID | A | 2QQT | 0.73 | ![]() |
AIN![]() | 2-(ACETYLOXY)BENZOIC ACID | A | 1TGM | 0.73 | ![]() |
AIN![]() | 2-(ACETYLOXY)BENZOIC ACID | A | 2G5J | 0.73 | ![]() |
AIN![]() | 2-(ACETYLOXY)BENZOIC ACID | A | 1OXR | 0.73 | ![]() |
AIN![]() | 2-(ACETYLOXY)BENZOIC ACID | A | 3HWY | 0.73 | ![]() |
3MB![]() | 3-METHOXYBENZAMIDE | A | 3PAX | 0.7 | ![]() |
ORE![]() | 4-(2,7-DIFLUORO-6-HYDROXY-3-OXO- 3H-XANTHEN-9-YL)ISOPHTHALIC ACID | H,I | 2A9N | 0.74 | ![]() |
B21![]() | 5-(2-METHOXYPHENYL)-2-FUROIC ACID | A | 2Q93 | 0.79 | ![]() |
397![]() | 2-(4-HYDROXY-PHENYL)BENZOFURAN- 5-OL | A,B | 1U9E | 0.74 | ![]() |
MGI![]() | methyl 4-(2,3-dihydroxy-5-methylphenoxy)- 2-hydroxy-6-methylbenzoate | A | 2ZA0 | 0.72 | ![]() |
VNL![]() | 4-HYDROXY-3-METHOXYBENZOATE | A,B,C,D | 2AHC | 0.71 | ![]() |
VNL![]() | 4-HYDROXY-3-METHOXYBENZOATE | A | 1XLR | 0.71 | ![]() |
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 | 0.72 | ![]() |
HMO![]() | 4'-HYDROXY-7-METHOXYISOFLAVONE | A | 1FP2 | 0.7 | ![]() |
NRO![]() | 3-[5-(2-nitropent-1-en-1-yl)furan- 2-yl]benzoic acid | A,B | 2ZK5 | 0.83 | ![]() |
FDS![]() | FLUORESCIN | H | 4FAB | 0.74 | ![]() |
ANN![]() | 4-METHOXYBENZOIC ACID | A | 2B96 | 0.76 | ![]() |
ANN![]() | 4-METHOXYBENZOIC ACID | A | 2QUE | 0.76 | ![]() |
ANN![]() | 4-METHOXYBENZOIC ACID | A | 1SV3 | 0.76 | ![]() |
ANN![]() | 4-METHOXYBENZOIC ACID | A | 1O2E | 0.76 | ![]() |
ANN![]() | 4-METHOXYBENZOIC ACID | A,B,C,D | 3CBI | 0.76 | ![]() |
244![]() | [5-HYDROXY-2-(4-HYDROXYPHENYL)- 1-BENZOFURAN-7-YL]ACETONITRILE | A,B | 1X78 | 0.78 | ![]() |
244![]() | [5-HYDROXY-2-(4-HYDROXYPHENYL)- 1-BENZOFURAN-7-YL]ACETONITRILE | A,B | 1X7E | 0.78 | ![]() |
SAK![]() | (2S)-5-hydroxy-2-(4-hydroxyphenyl)- 7-methoxy-2,3-dihydro-4H-chromen- 4-one | A,B,C,D,E,F | 3D04 | 0.7 | ![]() |
BGF![]() | 2,5-BIS(4-GUANYLPHENYL)FURAN | A | 227D | 0.71 | ![]() |
CIO![]() | CILOMILAST | A,B | 1XOM | 0.71 | ![]() |
CIO![]() | CILOMILAST | A,B | 1XLX | 0.71 | ![]() |
ADF![]() | 4-{[(2R,5S)-5-{[(2S)-2-(AMINOMETHYL)PYRROLIDIN- 1-YL]CARBONYL}PYRROLIDIN-2-YL]METHOXY}- 3-TERT-BUTYLBENZOIC ACID | A | 2G5P | 0.72 | ![]() |