Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00610912
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 |
AGI | 5,7-dihydroxy-2-(4-hydroxyphenyl)- 4H-chromen-4-one | A,B,C,D,E,F | 3CF9 | 0.71 | |
AZ2 | (2S)-2-ETHOXY-3-[4-(2-{4-[(METHYLSULFONYL)OXY]PHENYL}ETHOXY)PHENYL]PROPANOIC ACID | A,B | 1I7I | 0.7 | |
AZ2 | (2S)-2-ETHOXY-3-[4-(2-{4-[(METHYLSULFONYL)OXY]PHENYL}ETHOXY)PHENYL]PROPANOIC ACID | A | 1I7G | 0.7 | |
NBF | [(2-ETHOXY-1-NAPHTHOYL)AMINO]METHYLBORONIC ACID | A | 1NY0 | 0.71 | |
NBF | [(2-ETHOXY-1-NAPHTHOYL)AMINO]METHYLBORONIC ACID | A,B | 1YMS | 0.71 | |
VXX | VANILLATE | A,B | 1WB6 | 0.7 | |
QSO | 5,7-dihydroxy-3-(4-methoxyphenyl)- 4H-chromen-4-one | A,B | 2QYO | 0.71 | |
DTC | BISHYDROXY[2H-1-BENZOPYRAN-2-ONE,1,2- BENZOPYRONE] | A | 2Z9C | 0.7 | |
DTC | BISHYDROXY[2H-1-BENZOPYRAN-2-ONE,1,2- BENZOPYRONE] | A,B | 1OOQ | 0.7 | |
DTC | BISHYDROXY[2H-1-BENZOPYRAN-2-ONE,1,2- BENZOPYRONE] | A,B,C,D,E,F, G,H | 2F1O | 0.7 | |
R71 | [4-({6-[ALLYL(METHYL)AMINO]HEXYL}OXY)- 2-FLUOROPHENYL](4-BROMOPHENYL)METHANONE | A | 1W6J | 0.74 | |
R71 | [4-({6-[ALLYL(METHYL)AMINO]HEXYL}OXY)- 2-FLUOROPHENYL](4-BROMOPHENYL)METHANONE | A,B,C | 1GSZ | 0.74 | |
L1O | 4-(2-aminoethoxy)-3,5-dichlorobenzoic acid | A | 2VIO | 0.74 | |
TAX | (Z)-2-[4-(1,2)-DIPHENYL-1-BUTENYL)- PHENOXY]-N,N-DIMETHYLETHANAMINIUM | A | 1FJ5 | 0.71 | |
B21 | 5-(2-METHOXYPHENYL)-2-FUROIC ACID | A | 2Q93 | 0.73 | |
ZZ1 | 4-METHYL-2H-CHROMEN-2-ONE | A | 2CIP | 0.71 | |
DBA | (2,6-DIMETHYL-PHENOXY)-ACETIC ACID | A,B | 1IDB | 0.71 | |
AC6 | P-HYDROXYACETOPHENONE | A | 2GQ8 | 0.74 | |
AC6 | P-HYDROXYACETOPHENONE | X | 2O48 | 0.74 | |
505 | (2R)-1-(2,6-dimethylphenoxy)propan- 2-amine | A | 2VIN | 0.73 | |
34C | (3-CHLORO-4-PROPOXY-PHENYL)-ACETIC ACID | A,B | 1HT8 | 0.71 | |
FLN | 2-PHENYL-4H-CHROMEN-4-ONE | A | 2G0L | 0.77 | |
MPB | 4-HYDROXY-BENZOIC ACID METHYL ESTER | B,C,D | 2VK0 | 0.74 | |
MPB | 4-HYDROXY-BENZOIC ACID METHYL ESTER | A,B,D | 3MTH | 0.74 | |
VNL | 4-HYDROXY-3-METHOXYBENZOATE | A,B,C,D | 2AHC | 0.7 | |
VNL | 4-HYDROXY-3-METHOXYBENZOATE | A | 1XLR | 0.7 | |
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 | |
TOM | 4-(2-METHOXYPHENYL)-2-OXOBUT-3- ENOIC ACID | A | 2IMF | 0.73 | |
HMO | 4'-HYDROXY-7-METHOXYISOFLAVONE | A | 1FP2 | 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 | 0.71 | |
DRS | (9S,12S)-9-(1-methylethyl)-7,10- dioxo-2-oxa-8,11-diazabicyclo[12.2.2]octadeca- 1(16),14,17-triene-12-carboxylic acid | A,B | 3BXS | 0.7 | |
ANN | 4-METHOXYBENZOIC ACID | A | 2B96 | 0.78 | |
ANN | 4-METHOXYBENZOIC ACID | A | 2QUE | 0.78 | |
ANN | 4-METHOXYBENZOIC ACID | A | 1SV3 | 0.78 | |
ANN | 4-METHOXYBENZOIC ACID | A | 1O2E | 0.78 | |
ANN | 4-METHOXYBENZOIC ACID | A,B,C,D | 3CBI | 0.78 | |
3MB | 3-METHOXYBENZAMIDE | A | 3PAX | 0.8 | |
L41 | {4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]phenoxy}acetic acid | A,B | 3D5F | 0.72 | |
FC3 | 5-[2-(TRIFLUOROMETHYL)PHENYL]-2- FUROIC ACID | A | 2EVC | 0.7 | |
2TN | 2-(4-(2-HYDROXY-3-(ISOPROPYLAMINO)PROPOXY)PHENYL)ETHANAMIDE | A | 2OTF | 0.74 | |
2TN | 2-(4-(2-HYDROXY-3-(ISOPROPYLAMINO)PROPOXY)PHENYL)ETHANAMIDE | A | 2NUV | 0.74 | |
2TN | 2-(4-(2-HYDROXY-3-(ISOPROPYLAMINO)PROPOXY)PHENYL)ETHANAMIDE | A | 2OUB | 0.74 | |
KMP | 3,5,7-TRIHYDROXY-2-(4-HYDROXYPHENYL)- 4H-CHROMEN-4-ONE | A,B,C,D | 1H1M | 0.72 | |
KMP | 3,5,7-TRIHYDROXY-2-(4-HYDROXYPHENYL)- 4H-CHROMEN-4-ONE | A | 2C1Z | 0.72 | |
DFV | 7-HYDROXY-2-(4-HYDROXY-PHENYL)- CHROMAN-4-ONE | B,C | 1JX1 | 0.72 | |
DFV | 7-HYDROXY-2-(4-HYDROXY-PHENYL)- CHROMAN-4-ONE | A,B | 1JX0 | 0.72 | |
DFV | 7-HYDROXY-2-(4-HYDROXY-PHENYL)- CHROMAN-4-ONE | A,B | 1FM7 | 0.72 | |
HBA | P-HYDROXYBENZALDEHYDE | A | 1K03 | 0.71 | |
HBA | P-HYDROXYBENZALDEHYDE | A,B | 2VQ5 | 0.71 | |
HBA | P-HYDROXYBENZALDEHYDE | A,B | 1EB9 | 0.71 | |
HBA | P-HYDROXYBENZALDEHYDE | A | 2GQ9 | 0.71 | |
HBA | P-HYDROXYBENZALDEHYDE | A,B | 1Z42 | 0.71 | |
HBA | P-HYDROXYBENZALDEHYDE | A | 1OYB | 0.71 | |
NAR | NARINGENIN | A,B | 2UXU | 0.72 | |
NAR | NARINGENIN | A | 2BRT | 0.72 | |
NAR | NARINGENIN | A | 1CGK | 0.72 | |
NAR | NARINGENIN | A,B | 1EYQ | 0.72 | |
AIN | 2-(ACETYLOXY)BENZOIC ACID | A | 3GCL | 0.74 | |
AIN | 2-(ACETYLOXY)BENZOIC ACID | A | 2QQT | 0.74 | |
AIN | 2-(ACETYLOXY)BENZOIC ACID | A | 1TGM | 0.74 | |
AIN | 2-(ACETYLOXY)BENZOIC ACID | A | 2G5J | 0.74 | |
AIN | 2-(ACETYLOXY)BENZOIC ACID | A | 1OXR | 0.74 | |
AIN | 2-(ACETYLOXY)BENZOIC ACID | A | 3HWY | 0.74 | |
R88 | (4-BROMOPHENYL)[4-({(2E)-4-[CYCLOPROPYL(METHYL)AMINO]BUT- 2-ENYL}OXY)PHENYL]METHANONE | A,B,C | 1H36 | 0.74 | |
DBE | bis(4-hydroxyphenyl)methanone | A | 2VKU | 0.72 | |
GRR | (2S)-2-(4-ethylphenoxy)-3-phenylpropanoic acid | A | 3CDS | 0.75 | |
FLT | FLUOROMALONYL TYROSINE | I | 1BZH | 0.72 | |
CTX | (Z)-2-[4-(1,2)-DIPHENYL-1-BUTENYL)- PHENOXY]-N,N-DIMETHYLETHANAMINE | A,B,C | 1YA4 | 0.7 | |
EAA | ETHACRYNIC ACID | A,B | 3DGQ | 0.74 | |
EAA | ETHACRYNIC ACID | A,B | 11GS | 0.74 | |
EAA | ETHACRYNIC ACID | A,B,C,D | 1GSF | 0.74 | |
EAA | ETHACRYNIC ACID | A,B | 2GSS | 0.74 | |
EAA | ETHACRYNIC ACID | A,B | 3GSS | 0.74 | |
EAA | ETHACRYNIC ACID | A,B | 1GSE | 0.74 | |
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 | |
YE6 | 5-(2-chlorophenyl)furan-2-carbohydrazide | A | 2P9A | 0.72 | |
YE6 | 5-(2-chlorophenyl)furan-2-carbohydrazide | A | 2P99 | 0.72 | |
BEK | 2,3,5,6-TETRAFLUORO-4-METHOXY-BENZAMIDE | A | 1KJR | 0.73 | |
4MP | 1-(4-METHOXYBENZOYL)-2-PYRROLIDINONE | A,B | 2AL5 | 0.73 | |
BZF | BENZOFURAN | A | 182L | 0.75 | |
ZHH | 2-(4-METHOXYPHENYL)ETHANAMINE | D,H | 2HKR | 0.72 | |
886 | N-({4'-[(4-isobutyrylphenoxy)methyl]biphenyl- 4-yl}sulfonyl)-D-valine | A,B,C,D | 2RJP | 0.72 | |
JT6 | 3-[(4'-cyanobiphenyl-4-yl)oxy]- N-hydroxypropanamide | A | 2JT6 | 0.71 | |
MTJ | N,O-DIMETHYL-L-TYROSINE | A,B | 1ATL | 0.71 | |
SGI | 3-(4-hydroxyphenyl)propanamide | A,B | 2R9K | 0.72 | |
AI7 | 3-(heptyloxy)benzoic acid | A,B | 2O3Z | 0.77 | |
DDC | 7-HYDROXY-2-PHENYL-CHROMAN-4-ONE | A,B | 1FM8 | 0.73 | |
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 | |
DFL | 2-(4-HYDROXY-PHENYL)-CHROMAN-4- ONE | A,B | 1JEP | 0.74 | |
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 | |
HBD | 4-HYDROXYBENZAMIDE | B,C,D | 1BEN | 0.72 | |
GEN | GENISTEIN | A | 1QKM | 0.7 | |
GEN | GENISTEIN | A,B | 1X7J | 0.7 | |
GEN | GENISTEIN | A,B | 2QA8 | 0.7 | |
GEN | GENISTEIN | A | 1X7R | 0.7 | |
ZHZ | 2-(4-METHOXYPHENYL)ACETAMIDE | D,H | 2HKR | 0.83 | |
F6F | 2-{[4-(TRIFLUOROMETHOXY)BENZOYL]AMINO}ETHYL DIHYDROGEN PHOSPHATE | A,B | 2CLM | 0.72 | |
F6F | 2-{[4-(TRIFLUOROMETHOXY)BENZOYL]AMINO}ETHYL DIHYDROGEN PHOSPHATE | A,B | 2CLF | 0.72 | |
F6F | 2-{[4-(TRIFLUOROMETHOXY)BENZOYL]AMINO}ETHYL DIHYDROGEN PHOSPHATE | A,B | 2CLE | 0.72 | |
SB8 | 2-(3-BENZOYLPHENOXY)ETHYL(HYDROXY)FORMAMIDE | A | 2AIA | 0.77 |