Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00505781
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 |
PTM | ALPHA-METHYL-O-PHOSPHOTYROSINE | H,L | 1JYQ | 0.72 | |
JT6 | 3-[(4'-cyanobiphenyl-4-yl)oxy]- N-hydroxypropanamide | A | 2JT6 | 0.73 | |
TF3 | N-(2-AMINOETHYL)-2-{3-CHLORO-4- [(4-ISOPROPYLBENZYL)OXY]PHENYL} ACETAMIDE | A | 2BU7 | 0.72 | |
4HP | 4-HYDROXYPHENYLACETATE | A,B,C,D | 2JBT | 0.7 | |
4HP | 4-HYDROXYPHENYLACETATE | A | 2YYJ | 0.7 | |
4HP | 4-HYDROXYPHENYLACETATE | A | 2YYM | 0.7 | |
4HP | 4-HYDROXYPHENYLACETATE | B | 1AI6 | 0.7 | |
4HP | 4-HYDROXYPHENYLACETATE | M,N,O,P,Q,R | 3PCG | 0.7 | |
C61 | (2R,4S,5S,7S)-5-AMINO-N-BUTYL-4- HYDROXY-7-[4-METHOXY-3-(3-METHOXYPROPOXY)BENZYL]- 2,8-DIMETHYLNONANAMIDE | C,O | 2V10 | 0.7 | |
MAX | MATAIRESINOL | A | 2BGM | 0.71 | |
TON | 2-{2-[4-(1,1,3,3-TETRAMETHYLBUTYL)PHENOXY]ETHOXY}ETHANOL | A,B | 1SEZ | 0.75 | |
MPP | 3-(3,4-DIMETHOXYPHENYL)PROPIONIC ACID | A,B | 2AY3 | 0.75 | |
DTY | D-TYROSINE | A | 1C4B | 0.71 | |
DTY | D-TYROSINE | A,L | 1ZEA | 0.71 | |
DTY | D-TYROSINE | A,B,C,D,E,F, G,H | 1OF6 | 0.71 | |
DTY | D-TYROSINE | A,B | 1UNO | 0.71 | |
DTY | D-TYROSINE | A | 2IGZ | 0.71 | |
DTY | D-TYROSINE | A,B,C,H,K,L | 2R5D | 0.71 | |
DTY | D-TYROSINE | A,B | 2Q33 | 0.71 | |
DTY | D-TYROSINE | H,S | 2H9E | 0.71 | |
DTY | D-TYROSINE | A,B,C,H,K,L | 2R5B | 0.71 | |
DTY | D-TYROSINE | A | 2IH0 | 0.71 | |
DTY | D-TYROSINE | A | 1D7T | 0.71 | |
DTY | D-TYROSINE | A,B | 1XA0 | 0.71 | |
FIL | (1E)-1-[3-(CYCLOPENTYLOXY)-4-METHOXYPHENYL]ETHANONE O- (AMINOCARBONYL)OXIME | A,B | 1XLZ | 0.7 | |
BHP | (S)-5-(4-BENZYLOXY-PHENYL)-4-(7- PHENYL-HEPTANOYLAMINO)-PENTANOIC ACID | A,B | 1J1A | 0.71 | |
CIO | CILOMILAST | A,B | 1XOM | 0.75 | |
CIO | CILOMILAST | A,B | 1XLX | 0.75 | |
ZHZ | 2-(4-METHOXYPHENYL)ACETAMIDE | D,H | 2HKR | 0.91 | |
C27 | (6R)-2-amino-6-[2-(3'-methoxybiphenyl- 3-yl)ethyl]-3,6-dimethyl-5,6-dihydropyrimidin- 4(3H)-one | A | 2VA7 | 0.74 | |
OXN | OXTOXYNOL-10 | A | 1IKT | 0.72 | |
OXN | OXTOXYNOL-10 | A,B | 2Q32 | 0.72 | |
OXN | OXTOXYNOL-10 | A,B | 1UEH | 0.72 | |
OXN | OXTOXYNOL-10 | A,B | 2D4Q | 0.72 | |
HA2 | 6-[{(2S)-2-AMINO-3-[4-(BENZYLOXY)PHENYL]PROPYL}(HYDROXY)AMINO]- 6-OXOHEXANOIC ACID) | A | 2VJ8 | 0.7 | |
EGC | 2-(2-{2-[2-(2-{2-[2-(2-{2-[4-(1,1,3,3- TETRAMETHYL-BUTYL)-PHENOXY]-ETHOXY}- ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)- ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL | A,B | 1JP3 | 0.72 | |
EGC | 2-(2-{2-[2-(2-{2-[2-(2-{2-[4-(1,1,3,3- TETRAMETHYL-BUTYL)-PHENOXY]-ETHOXY}- ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)- ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL | A | 2W22 | 0.72 | |
2TN | 2-(4-(2-HYDROXY-3-(ISOPROPYLAMINO)PROPOXY)PHENYL)ETHANAMIDE | A | 2OTF | 0.75 | |
2TN | 2-(4-(2-HYDROXY-3-(ISOPROPYLAMINO)PROPOXY)PHENYL)ETHANAMIDE | A | 2NUV | 0.75 | |
2TN | 2-(4-(2-HYDROXY-3-(ISOPROPYLAMINO)PROPOXY)PHENYL)ETHANAMIDE | A | 2OUB | 0.75 | |
PZM | 1-(4-METHOXYPHENYL)METHANAMINE | A,D,H | 2HJB | 0.76 | |
ZHH | 2-(4-METHOXYPHENYL)ETHANAMINE | D,H | 2HKR | 0.79 | |
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 | |
GRR | (2S)-2-(4-ethylphenoxy)-3-phenylpropanoic acid | A | 3CDS | 0.71 | |
3MB | 3-METHOXYBENZAMIDE | A | 3PAX | 0.83 | |
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 | |
HQQ | 5-METHYL-5-(4-PHENOXY-PHENYL)-PYRIMIDINE- 2,4,6-TRIONE | A,B,C | 1G4K | 0.78 | |
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 | |
B3Y | (3S)-3-AMINO-4-(4-HYDROXYPHENYL)BUTANOIC ACID | A | 3HF0 | 0.72 | |
B3Y | (3S)-3-AMINO-4-(4-HYDROXYPHENYL)BUTANOIC ACID | A | 2OXK | 0.72 | |
B3Y | (3S)-3-AMINO-4-(4-HYDROXYPHENYL)BUTANOIC ACID | A,B,C | 2OXJ | 0.72 | |
11N | 1-[1'-(3-phenylacryloyl)spiro[1- benzofuran-3,4'-piperidin]-5-yl]methanamine | A,B,C,D | 2ZEC | 0.7 | |
MTJ | N,O-DIMETHYL-L-TYROSINE | A,B | 1ATL | 0.77 | |
TYB | TYROSINAL | A,B | 1KDZ | 0.72 | |
TYB | TYROSINAL | A | 1Q11 | 0.72 | |
TYB | TYROSINAL | A,B | 2J5B | 0.72 | |
TYB | TYROSINAL | A,I | 1GA4 | 0.72 | |
TYB | TYROSINAL | A,B,C | 1NLU | 0.72 | |
TYB | TYROSINAL | A,B | 1KE1 | 0.72 | |
TYB | TYROSINAL | A,B | 1H3F | 0.72 | |
TYB | TYROSINAL | A,B | 1H3E | 0.72 | |
TYC | L-TYROSINAMIDE | A | 2BF9 | 0.74 | |
TYC | L-TYROSINAMIDE | A | 2OCI | 0.74 | |
505 | (2R)-1-(2,6-dimethylphenoxy)propan- 2-amine | A | 2VIN | 0.71 | |
T33 | 3,3'-DEIODO-THYROXINE | A,B | 1THA | 0.7 | |
DR6 | ALPHA-[4-(1,1,3,3 - TETRAMETHYLBUTYL)PHENYL]- OMEGA-HYDROXY-POLY(OXY-1,2-ETHANEDIYL) | C,I,T | 1YTZ | 0.72 | |
NPS | (2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid | A | 2VDB | 0.75 | |
TRT | FRAGMENT OF TRITON X-100 | A,E | 2I0U | 0.76 | |
TRT | FRAGMENT OF TRITON X-100 | A,B | 1OIZ | 0.76 | |
BEK | 2,3,5,6-TETRAFLUORO-4-METHOXY-BENZAMIDE | A | 1KJR | 0.73 | |
4MP | 1-(4-METHOXYBENZOYL)-2-PYRROLIDINONE | A,B | 2AL5 | 0.73 | |
296 | (3R)-3-amino-2,2-difluoro-3-(4- methoxyphenyl)propanoic acid | A,B | 2RJS | 0.75 | |
NBF | [(2-ETHOXY-1-NAPHTHOYL)AMINO]METHYLBORONIC ACID | A | 1NY0 | 0.73 | |
NBF | [(2-ETHOXY-1-NAPHTHOYL)AMINO]METHYLBORONIC ACID | A,B | 1YMS | 0.73 | |
HTA | N-[3-(N'-HYDROXYCARBOXAMIDO)-2- (2-METHYLPROPYL)-PROPANOYL]-O-TYROSINE- N-METHYLAMIDE | A | 1FBL | 0.75 | |
AI7 | 3-(heptyloxy)benzoic acid | A,B | 2O3Z | 0.72 | |
EMF | ethyl (1S,2S)-2-(4-hydroxy-3-methoxyphenyl)cyclopropanecarboxylate | A,B | 2QZZ | 0.72 | |
EMF | ethyl (1S,2S)-2-(4-hydroxy-3-methoxyphenyl)cyclopropanecarboxylate | A,B | 2R2G | 0.72 | |
HBD | 4-HYDROXYBENZAMIDE | B,C,D | 1BEN | 0.7 | |
EQI | EQUILIN | A,B | 1EQU | 0.71 | |
ROL | ROLIPRAM | A,B,C,D | 1OYN | 0.77 | |
ROL | ROLIPRAM | A,B | 1XMY | 0.77 | |
ROL | ROLIPRAM | A,B,C,D | 1Q9M | 0.77 | |
ROL | ROLIPRAM | A,B | 1RO6 | 0.77 | |
ROL | ROLIPRAM | A,B | 1XN0 | 0.77 | |
ROL | ROLIPRAM | A,B | 1TBB | 0.77 | |
H24 | (6S)-2-amino-6-(3'-methoxybiphenyl- 3-yl)-3,6-dimethyl-5,6-dihydropyrimidin- 4(3H)-one | A | 2VA6 | 0.73 | |
DRR | A,B | 3BXR | 0.71 | ||
SGI | 3-(4-hydroxyphenyl)propanamide | A,B | 2R9K | 0.78 | |
E20 | 1-BENZYL-4-[(5,6-DIMETHOXY-1-INDANON- 2-YL)METHYL]PIPERIDINE | A | 1EVE | 0.71 | |
167 | 6-CARBAMIMIDOYL-2-[2-HYDROXY-5- (3-METHOXY-PHENYL)-INDAN-1-YL]- HEXANOIC ACID | B,I | 1QJ6 | 0.72 | |
4SR | (4S)-4-[3-(CYCLOPENTYLOXY)-4-METHOXYPHENYL]PYRROLIDIN- 2-ONE | A,B | 1XN0 | 0.77 |