Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03292421
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 |
BFL![]() | A,B | 1Q4G | 0.71 | ![]() | |
GRO![]() | R-2-PHENYL-PROPRIONIC ACID | B | 1K5S | 0.74 | ![]() |
GRO![]() | R-2-PHENYL-PROPRIONIC ACID | B | 1KEC | 0.74 | ![]() |
GRO![]() | R-2-PHENYL-PROPRIONIC ACID | B | 1K7D | 0.74 | ![]() |
IBP![]() | IBUPROFEN | A | 3FKX | 0.74 | ![]() |
IBP![]() | IBUPROFEN | A,B | 2BXG | 0.74 | ![]() |
IBP![]() | IBUPROFEN | A,B | 1EQG | 0.74 | ![]() |
IBP![]() | IBUPROFEN | A,B,C | 2WD9 | 0.74 | ![]() |
IBP![]() | IBUPROFEN | A | 2PWS | 0.74 | ![]() |
2HS![]() | HEXYLPHOSPHONIC ACID (S)-2-METHYL- 3-PHENYLPROPYL ESTER | X | 1YS2 | 0.77 | ![]() |
2HR![]() | HEXYLPHOSPHONIC ACID (R)-2-METHYL- 3-PHENYLPROPYL ESTER | X | 1YS1 | 0.77 | ![]() |
FL2![]() | FLURBIPROFEN METHYL ESTER | A,B | 1HT5 | 0.74 | ![]() |
5PV![]() | 5-PHENYLVALERIC ACID | A,B | 2AY9 | 0.73 | ![]() |
ARL![]() | 7-(3,5-DITERT-BUTYLPHENYL)-3-METHYLOCTA- 2,4,6-TRIENOIC ACID | A | 1NQ7 | 0.71 | ![]() |
DPH![]() | DEAMINO-METHYL-PHENYLALANINE | A | 1OS0 | 0.75 | ![]() |
DPH![]() | DEAMINO-METHYL-PHENYLALANINE | A,B | 2JJI | 0.75 | ![]() |
DPH![]() | DEAMINO-METHYL-PHENYLALANINE | A,B | 2JJJ | 0.75 | ![]() |
DPH![]() | DEAMINO-METHYL-PHENYLALANINE | A,B | 2VS2 | 0.75 | ![]() |
DPH![]() | DEAMINO-METHYL-PHENYLALANINE | A,B | 1OD1 | 0.75 | ![]() |
DPH![]() | DEAMINO-METHYL-PHENYLALANINE | E | 1EPR | 0.75 | ![]() |
PPT![]() | 3-(P-TOLYL)PROPIONIC ACID | A,B | 2AY4 | 0.73 | ![]() |
PHQ![]() | FORMIC ACID BENZYL ESTER | A,I | 2F4O | 0.73 | ![]() |
PHQ![]() | FORMIC ACID BENZYL ESTER | A | 1KJO | 0.73 | ![]() |
PHQ![]() | FORMIC ACID BENZYL ESTER | I | 2CDR | 0.73 | ![]() |
PHQ![]() | FORMIC ACID BENZYL ESTER | I | 2C1E | 0.73 | ![]() |
PHQ![]() | FORMIC ACID BENZYL ESTER | I | 5PAD | 0.73 | ![]() |
PHQ![]() | FORMIC ACID BENZYL ESTER | E,F | 1JXQ | 0.73 | ![]() |
PHQ![]() | FORMIC ACID BENZYL ESTER | A | 2CNO | 0.73 | ![]() |
PHQ![]() | FORMIC ACID BENZYL ESTER | A,B | 1CGL | 0.73 | ![]() |
PHQ![]() | FORMIC ACID BENZYL ESTER | I | 2AZ9 | 0.73 | ![]() |
PHQ![]() | FORMIC ACID BENZYL ESTER | I | 2C2K | 0.73 | ![]() |
PHQ![]() | FORMIC ACID BENZYL ESTER | A,I | 2CNL | 0.73 | ![]() |
PHQ![]() | FORMIC ACID BENZYL ESTER | A | 1KJP | 0.73 | ![]() |
PHQ![]() | FORMIC ACID BENZYL ESTER | I | 2C2M | 0.73 | ![]() |
PHQ![]() | FORMIC ACID BENZYL ESTER | I | 2AZB | 0.73 | ![]() |
PHQ![]() | FORMIC ACID BENZYL ESTER | A | 9HVP | 0.73 | ![]() |
PHQ![]() | FORMIC ACID BENZYL ESTER | A | 1ESB | 0.73 | ![]() |
PHQ![]() | FORMIC ACID BENZYL ESTER | E,F | 1DY8 | 0.73 | ![]() |
PHQ![]() | FORMIC ACID BENZYL ESTER | E,I | 1PPM | 0.73 | ![]() |
PHQ![]() | FORMIC ACID BENZYL ESTER | I | 1GEC | 0.73 | ![]() |
PHQ![]() | FORMIC ACID BENZYL ESTER | A | 1KS7 | 0.73 | ![]() |
PHQ![]() | FORMIC ACID BENZYL ESTER | C | 1A8G | 0.73 | ![]() |
PHQ![]() | FORMIC ACID BENZYL ESTER | A | 1KKK | 0.73 | ![]() |
PHQ![]() | FORMIC ACID BENZYL ESTER | T,U,V,W,X,Y | 1QDU | 0.73 | ![]() |
PHQ![]() | FORMIC ACID BENZYL ESTER | E,I | 4TMN | 0.73 | ![]() |
PHQ![]() | FORMIC ACID BENZYL ESTER | E,I | 5TMN | 0.73 | ![]() |
PHQ![]() | FORMIC ACID BENZYL ESTER | A | 1KTO | 0.73 | ![]() |
PHQ![]() | FORMIC ACID BENZYL ESTER | A,C | 1TG1 | 0.73 | ![]() |
PHQ![]() | FORMIC ACID BENZYL ESTER | I | 2AZ8 | 0.73 | ![]() |
PHQ![]() | FORMIC ACID BENZYL ESTER | A,B | 2G58 | 0.73 | ![]() |
PHQ![]() | FORMIC ACID BENZYL ESTER | Q,R,S,T,U,V | 1F9E | 0.73 | ![]() |
PHQ![]() | FORMIC ACID BENZYL ESTER | I | 2CJY | 0.73 | ![]() |
PHQ![]() | FORMIC ACID BENZYL ESTER | A,I | 1E8M | 0.73 | ![]() |
PHQ![]() | FORMIC ACID BENZYL ESTER | A | 1KR6 | 0.73 | ![]() |
PHQ![]() | FORMIC ACID BENZYL ESTER | E,I | 6TMN | 0.73 | ![]() |
PHQ![]() | FORMIC ACID BENZYL ESTER | A | 1KRO | 0.73 | ![]() |
PHQ![]() | FORMIC ACID BENZYL ESTER | I | 2CNN | 0.73 | ![]() |
PHQ![]() | FORMIC ACID BENZYL ESTER | I | 2C2O | 0.73 | ![]() |
PHQ![]() | FORMIC ACID BENZYL ESTER | A,B | 1SQZ | 0.73 | ![]() |
PHQ![]() | FORMIC ACID BENZYL ESTER | A,B | 1THE | 0.73 | ![]() |
PHQ![]() | FORMIC ACID BENZYL ESTER | I,J | 2AZC | 0.73 | ![]() |
PHQ![]() | FORMIC ACID BENZYL ESTER | E,I | 5EST | 0.73 | ![]() |
PHQ![]() | FORMIC ACID BENZYL ESTER | I | 2CNK | 0.73 | ![]() |
PHQ![]() | FORMIC ACID BENZYL ESTER | A | 1KL6 | 0.73 | ![]() |
PHQ![]() | FORMIC ACID BENZYL ESTER | I | 6PAD | 0.73 | ![]() |
PHQ![]() | FORMIC ACID BENZYL ESTER | B,I | 2C2Z | 0.73 | ![]() |
BIP![]() | 2-BENZYL-3-IODOPROPANOIC ACID | A,B,C,D | 1BAV | 0.78 | ![]() |
DFA![]() | DIPHENYLACETIC ACID | A,B,C | 1GMY | 0.71 | ![]() |
HCI![]() | HYDROCINNAMIC ACID | A,B | 1BXG | 0.72 | ![]() |
HCI![]() | HYDROCINNAMIC ACID | A,B | 1TOG | 0.72 | ![]() |
HCI![]() | HYDROCINNAMIC ACID | A,B | 1V2F | 0.72 | ![]() |
HCI![]() | HYDROCINNAMIC ACID | A,B | 1AHX | 0.72 | ![]() |
HCI![]() | HYDROCINNAMIC ACID | A | 1TOI | 0.72 | ![]() |
HCI![]() | HYDROCINNAMIC ACID | A,B | 1AY8 | 0.72 | ![]() |
HCI![]() | HYDROCINNAMIC ACID | A | 1TOJ | 0.72 | ![]() |
4FA![]() | 4-FLUOROPHENETHYL ALCOHOL | A | 1OWZ | 0.7 | ![]() |
ISA![]() | 3-(4-IODO-PHENYL)-2-MERCAPTO-PROPIONIC ACID | A | 1NX3 | 0.71 | ![]() |
ISA![]() | 3-(4-IODO-PHENYL)-2-MERCAPTO-PROPIONIC ACID | A,B | 1ALW | 0.71 | ![]() |
OST![]() | METHYL (2Z)-3-METHOXY-2-{2-[(E)- 2-PHENYLVINYL]PHENYL}ACRYLATE | C,D,E | 1SQQ | 0.71 | ![]() |
M5P![]() | (S)-2-(MERCAPTOMETHYL)-5-PHENYLPENTANOIC ACID | A,B | 2YZ3 | 0.71 | ![]() |
PPP![]() | 3-PHENYL-1,2-PROPANDIOL | A,B | 1HRN | 0.71 | ![]() |
1LP![]() | TRANYLCYPROMINE | A,B | 1OJB | 0.7 | ![]() |
I4B![]() | ISOBUTYLBENZENE | A | 184L | 0.71 | ![]() |
PEL![]() | 2-PHENYL-ETHANOL | A,B | 1I0D | 0.73 | ![]() |
PEL![]() | 2-PHENYL-ETHANOL | D,H | 2I0T | 0.73 | ![]() |
PEL![]() | 2-PHENYL-ETHANOL | A,B | 1HZY | 0.73 | ![]() |
PEL![]() | 2-PHENYL-ETHANOL | A,B | 1I0B | 0.73 | ![]() |
PEL![]() | 2-PHENYL-ETHANOL | A | 1EYW | 0.73 | ![]() |
PEL![]() | 2-PHENYL-ETHANOL | A,B | 1JGM | 0.73 | ![]() |
BZS![]() | L-BENZYLSUCCINIC ACID | A | 1CBX | 0.7 | ![]() |
BZS![]() | L-BENZYLSUCCINIC ACID | A | 1HYT | 0.7 | ![]() |
BZS![]() | L-BENZYLSUCCINIC ACID | A,B | 1WHT | 0.7 | ![]() |
12M![]() | (2-ETHYLPHENYL)METHANOL | A,B | 2F62 | 0.7 | ![]() |
CLT![]() | 4-PHENYL-BUTANOIC ACID | A | 1THL | 0.71 | ![]() |
CLT![]() | 4-PHENYL-BUTANOIC ACID | A,B | 2AY7 | 0.71 | ![]() |
CLT![]() | 4-PHENYL-BUTANOIC ACID | E,I | 1TMN | 0.71 | ![]() |
BGG![]() | CARBONIC ACID MONOBENZYL ESTER | B,D | 1DLK | 0.76 | ![]() |