Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00286454
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 |
U03 | 4-HYDROXY-7-METHOXY-3-(1-PHENYL- PROPYL)-CHROMEN-2-ONE | A | 3UPJ | 0.7 | |
NRO | 3-[5-(2-nitropent-1-en-1-yl)furan- 2-yl]benzoic acid | A,B | 2ZK5 | 0.72 | |
R02 | {4-[((1S,2S)-2-{[ALLYL(CYCLOPROPYL)AMINO]METHYL}CYCLOPROPYL)METHOXY]PHENYL}(4- BROMOPHENYL)METHANONE | A,B,C | 1H37 | 0.72 | |
BZF | BENZOFURAN | A | 182L | 0.76 | |
U01 | 3-[1-(4-BROMO-PHENYL)-2-METHYL- PROPYL]-4-HYDROXY-CHROMEN-2-ONE | A | 1UPJ | 0.78 | |
R19 | ALLYL-{6-[3-(4-BROMO-PHENYL)-BENZOFURAN- 6-YLOXY]-HEXYL-}-METHYL-AMIN | A,B,C | 1O6R | 0.75 | |
FLN | 2-PHENYL-4H-CHROMEN-4-ONE | A | 2G0L | 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 | 0.7 | |
HZ3 | dimethyl (1R,4S)-5,6-bis(4-hydroxyphenyl)- 7-oxabicyclo[2.2.1]hepta-2,5-diene- 2,3-dicarboxylate | A,B | 2QR9 | 0.71 | |
C1F | 3-CARBOXY-4-METHYL-5-PROPYL-2-FURANPROPIONIC | A,B | 2BXA | 0.75 | |
OEF | 3,5-DIBROMO-4-(3-ISOPROPYL-PHENOXY)BENZOIC ACID | A | 2J4A | 0.76 | |
RWF | R-WARFARIN | A,B | 2BXD | 0.7 | |
FC3 | 5-[2-(TRIFLUOROMETHYL)PHENYL]-2- FUROIC ACID | A | 2EVC | 0.72 | |
509 | 4-BROMO-3-(CARBOXYMETHOXY)-5-PHENYLTHIOPHENE- 2-CARBOXYLIC ACID | A | 2H4K | 0.77 | |
GRR | (2S)-2-(4-ethylphenoxy)-3-phenylpropanoic acid | A | 3CDS | 0.71 | |
PSO | 4'-HYDROXYMETHYL-4,5',8-TRIMETHYLPSORALEN | A,B | 1FHY | 0.71 | |
PSO | 4'-HYDROXYMETHYL-4,5',8-TRIMETHYLPSORALEN | B | 204D | 0.71 | |
PSO | 4'-HYDROXYMETHYL-4,5',8-TRIMETHYLPSORALEN | A,B | 2B2B | 0.71 | |
PSO | 4'-HYDROXYMETHYL-4,5',8-TRIMETHYLPSORALEN | B | 1FHZ | 0.71 | |
PSO | 4'-HYDROXYMETHYL-4,5',8-TRIMETHYLPSORALEN | A | 203D | 0.71 | |
B21 | 5-(2-METHOXYPHENYL)-2-FUROIC ACID | A | 2Q93 | 0.78 | |
DBF | DIBENZOFURAN-4,6-DICARBOXYLIC ACID | B | 1DVU | 0.76 | |
WRR | 4-HYDROXY-3-[(1S,3R)-3-HYDROXY- 1-PHENYLBUTYL]-2H-CHROMEN-2-ONE | A | 1H9Z | 0.7 | |
DTC | BISHYDROXY[2H-1-BENZOPYRAN-2-ONE,1,2- BENZOPYRONE] | A | 2Z9C | 0.73 | |
DTC | BISHYDROXY[2H-1-BENZOPYRAN-2-ONE,1,2- BENZOPYRONE] | A,B | 1OOQ | 0.73 | |
DTC | BISHYDROXY[2H-1-BENZOPYRAN-2-ONE,1,2- BENZOPYRONE] | A,B,C,D,E,F, G,H | 2F1O | 0.73 | |
WRS | 4-HYDROXY-3-[(1S,3S)-3-HYDROXY- 1-PHENYLBUTYL]-2H-CHROMEN-2-ONE | A | 1HA2 | 0.7 | |
SWF | S-WARFARIN | A,B | 1OG5 | 0.7 | |
VII | 2,5-DIPHENYLFURAN-3,4-DICARBOXYLIC ACID | A,B | 2GFK | 0.8 | |
DFL | 2-(4-HYDROXY-PHENYL)-CHROMAN-4- ONE | A,B | 1JEP | 0.7 | |
A04 | 5-[2-(TRIFLUOROMETHOXY)PHENYL]- 2-FUROIC ACID | A | 2Q94 | 0.74 | |
FL9 | A,B | 1THC | 0.71 | ||
8MO | METHOXSALEN | A,B,C,D | 1Z11 | 0.72 | |
MAX | MATAIRESINOL | A | 2BGM | 0.7 | |
R17 | ALLYL-{4-[3-(4-BROMO-PHENYL)-BENZOFURAN- 6-YLOXY]-BUT-2-ENYL}-METHYL-AMINE | A,B,C | 1O6Q | 0.77 | |
PFI | (6S)-6-CYCLOPENTYL-6-[2-(3-FLUORO- 4-ISOPROPOXYPHENYL)ETHYL]-4-HYDROXY- 5,6-DIHYDRO-2H-PYRAN-2-ONE | A | 2HAI | 0.71 | |
L41 | {4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]phenoxy}acetic acid | A,B | 3D5F | 0.71 | |
AIN | 2-(ACETYLOXY)BENZOIC ACID | A | 3GCL | 0.77 | |
AIN | 2-(ACETYLOXY)BENZOIC ACID | A | 2QQT | 0.77 | |
AIN | 2-(ACETYLOXY)BENZOIC ACID | A | 1TGM | 0.77 | |
AIN | 2-(ACETYLOXY)BENZOIC ACID | A | 2G5J | 0.77 | |
AIN | 2-(ACETYLOXY)BENZOIC ACID | A | 1OXR | 0.77 | |
AIN | 2-(ACETYLOXY)BENZOIC ACID | A | 3HWY | 0.77 | |
AI7 | 3-(heptyloxy)benzoic acid | A,B | 2O3Z | 0.77 | |
R71 | [4-({6-[ALLYL(METHYL)AMINO]HEXYL}OXY)- 2-FLUOROPHENYL](4-BROMOPHENYL)METHANONE | A | 1W6J | 0.76 | |
R71 | [4-({6-[ALLYL(METHYL)AMINO]HEXYL}OXY)- 2-FLUOROPHENYL](4-BROMOPHENYL)METHANONE | A,B,C | 1GSZ | 0.76 | |
R88 | (4-BROMOPHENYL)[4-({(2E)-4-[CYCLOPROPYL(METHYL)AMINO]BUT- 2-ENYL}OXY)PHENYL]METHANONE | A,B,C | 1H36 | 0.77 | |
694 | 4-BROMO-3-(CARBOXYMETHOXY)-5-(4- HYDROXYPHENYL)THIOPHENE-2-CARBOXYLIC ACID | A | 2H4G | 0.76 | |
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 | |
ANN | 4-METHOXYBENZOIC ACID | A | 2B96 | 0.71 | |
ANN | 4-METHOXYBENZOIC ACID | A | 2QUE | 0.71 | |
ANN | 4-METHOXYBENZOIC ACID | A | 1SV3 | 0.71 | |
ANN | 4-METHOXYBENZOIC ACID | A | 1O2E | 0.71 | |
ANN | 4-METHOXYBENZOIC ACID | A,B,C,D | 3CBI | 0.71 | |
FL8 | 6,4'-DIHYDROXY-3-METHYL-3',5'-DIBROMOFLAVONE | B,C | 1KGJ | 0.74 |