Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02326179
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 |
RMN | (R)-MANDELIC ACID | A | 1MDL | 0.82 | |
RMN | (R)-MANDELIC ACID | A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P | 1MCZ | 0.82 | |
HPP | HYDROXYPHENYL PROPIONIC ACID | A,B | 2TPL | 0.72 | |
HPP | HYDROXYPHENYL PROPIONIC ACID | A,B,C,D | 3GGP | 0.72 | |
TB1 | (3S)-3-(BENZYLOXY)-L-ASPARTIC ACID | A,B,C | 2NWW | 0.75 | |
S1A | SORAPHEN A | A,B | 3GID | 0.75 | |
S1A | SORAPHEN A | A,B,C | 1W96 | 0.75 | |
791 | 2-PHENYLMALONIC ACID | A | 1O4P | 0.72 | |
KPV | 5-PHENYL-2-KETO-VALERIC ACID | A,B | 2Q5Q | 0.73 | |
OST | METHYL (2Z)-3-METHOXY-2-{2-[(E)- 2-PHENYLVINYL]PHENYL}ACRYLATE | C,D,E | 1SQQ | 0.72 | |
SEM | 3-AMINO-4-OXYBENZYL-2-BUTANONE | A,B | 1THE | 0.71 | |
PHQ | FORMIC ACID BENZYL ESTER | A,I | 2F4O | 0.77 | |
PHQ | FORMIC ACID BENZYL ESTER | A | 1KJO | 0.77 | |
PHQ | FORMIC ACID BENZYL ESTER | I | 2CDR | 0.77 | |
PHQ | FORMIC ACID BENZYL ESTER | I | 2C1E | 0.77 | |
PHQ | FORMIC ACID BENZYL ESTER | I | 5PAD | 0.77 | |
PHQ | FORMIC ACID BENZYL ESTER | E,F | 1JXQ | 0.77 | |
PHQ | FORMIC ACID BENZYL ESTER | A | 2CNO | 0.77 | |
PHQ | FORMIC ACID BENZYL ESTER | A,B | 1CGL | 0.77 | |
PHQ | FORMIC ACID BENZYL ESTER | I | 2AZ9 | 0.77 | |
PHQ | FORMIC ACID BENZYL ESTER | I | 2C2K | 0.77 | |
PHQ | FORMIC ACID BENZYL ESTER | A,I | 2CNL | 0.77 | |
PHQ | FORMIC ACID BENZYL ESTER | A | 1KJP | 0.77 | |
PHQ | FORMIC ACID BENZYL ESTER | I | 2C2M | 0.77 | |
PHQ | FORMIC ACID BENZYL ESTER | I | 2AZB | 0.77 | |
PHQ | FORMIC ACID BENZYL ESTER | A | 9HVP | 0.77 | |
PHQ | FORMIC ACID BENZYL ESTER | A | 1ESB | 0.77 | |
PHQ | FORMIC ACID BENZYL ESTER | E,F | 1DY8 | 0.77 | |
PHQ | FORMIC ACID BENZYL ESTER | E,I | 1PPM | 0.77 | |
PHQ | FORMIC ACID BENZYL ESTER | I | 1GEC | 0.77 | |
PHQ | FORMIC ACID BENZYL ESTER | A | 1KS7 | 0.77 | |
PHQ | FORMIC ACID BENZYL ESTER | C | 1A8G | 0.77 | |
PHQ | FORMIC ACID BENZYL ESTER | A | 1KKK | 0.77 | |
PHQ | FORMIC ACID BENZYL ESTER | T,U,V,W,X,Y | 1QDU | 0.77 | |
PHQ | FORMIC ACID BENZYL ESTER | E,I | 4TMN | 0.77 | |
PHQ | FORMIC ACID BENZYL ESTER | E,I | 5TMN | 0.77 | |
PHQ | FORMIC ACID BENZYL ESTER | A | 1KTO | 0.77 | |
PHQ | FORMIC ACID BENZYL ESTER | A,C | 1TG1 | 0.77 | |
PHQ | FORMIC ACID BENZYL ESTER | I | 2AZ8 | 0.77 | |
PHQ | FORMIC ACID BENZYL ESTER | A,B | 2G58 | 0.77 | |
PHQ | FORMIC ACID BENZYL ESTER | Q,R,S,T,U,V | 1F9E | 0.77 | |
PHQ | FORMIC ACID BENZYL ESTER | I | 2CJY | 0.77 | |
PHQ | FORMIC ACID BENZYL ESTER | A,I | 1E8M | 0.77 | |
PHQ | FORMIC ACID BENZYL ESTER | A | 1KR6 | 0.77 | |
PHQ | FORMIC ACID BENZYL ESTER | E,I | 6TMN | 0.77 | |
PHQ | FORMIC ACID BENZYL ESTER | A | 1KRO | 0.77 | |
PHQ | FORMIC ACID BENZYL ESTER | I | 2CNN | 0.77 | |
PHQ | FORMIC ACID BENZYL ESTER | I | 2C2O | 0.77 | |
PHQ | FORMIC ACID BENZYL ESTER | A,B | 1SQZ | 0.77 | |
PHQ | FORMIC ACID BENZYL ESTER | A,B | 1THE | 0.77 | |
PHQ | FORMIC ACID BENZYL ESTER | I,J | 2AZC | 0.77 | |
PHQ | FORMIC ACID BENZYL ESTER | E,I | 5EST | 0.77 | |
PHQ | FORMIC ACID BENZYL ESTER | I | 2CNK | 0.77 | |
PHQ | FORMIC ACID BENZYL ESTER | A | 1KL6 | 0.77 | |
PHQ | FORMIC ACID BENZYL ESTER | I | 6PAD | 0.77 | |
PHQ | FORMIC ACID BENZYL ESTER | B,I | 2C2Z | 0.77 | |
BGG | CARBONIC ACID MONOBENZYL ESTER | B,D | 1DLK | 0.75 | |
PPY | 3-PHENYLPYRUVIC ACID | A,B | 2Q5O | 0.73 | |
PPY | 3-PHENYLPYRUVIC ACID | A,B | 1LCO | 0.73 | |
PPY | 3-PHENYLPYRUVIC ACID | A,B,C,D,E,F | 2ZF4 | 0.73 | |
PPY | 3-PHENYLPYRUVIC ACID | A,B | 1BW9 | 0.73 | |
OPH | 2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTER | E,I | 1PPM | 0.8 | |
OPH | 2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTER | E,I | 1PPL | 0.8 | |
295 | (2S,3S)-3-(4-fluorophenyl)-2,3- dihydroxypropanoic acid | A,B | 2RJR | 0.82 | |
GRR | (2S)-2-(4-ethylphenoxy)-3-phenylpropanoic acid | A | 3CDS | 0.76 | |
MPP | 3-(3,4-DIMETHOXYPHENYL)PROPIONIC ACID | A,B | 2AY3 | 0.72 | |
GRO | R-2-PHENYL-PROPRIONIC ACID | B | 1K5S | 0.7 | |
GRO | R-2-PHENYL-PROPRIONIC ACID | B | 1KEC | 0.7 | |
GRO | R-2-PHENYL-PROPRIONIC ACID | B | 1K7D | 0.7 | |
CP5 | (2Z)-3-{[OXIDO(OXO)PHOSPHINO]OXY}- 2-PHENYLACRYLATE | A | 1SCW | 0.7 | |
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 | |
OFF | 2-DEOXY-3,4-BIS-O-[3-(4-HYDROXYPHENYL)PROPANOYL]- L-THREO-PENTARIC ACID | A | 2OFF | 0.71 | |
LRG | (2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acid | A | 3B3K | 0.73 | |
LRG | (2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acid | A | 3D6D | 0.73 | |
AZ2 | (2S)-2-ETHOXY-3-[4-(2-{4-[(METHYLSULFONYL)OXY]PHENYL}ETHOXY)PHENYL]PROPANOIC ACID | A,B | 1I7I | 0.71 | |
AZ2 | (2S)-2-ETHOXY-3-[4-(2-{4-[(METHYLSULFONYL)OXY]PHENYL}ETHOXY)PHENYL]PROPANOIC ACID | A | 1I7G | 0.71 | |
PAC | 2-PHENYLACETIC ACID | B | 1PNL | 0.73 | |
PAC | 2-PHENYLACETIC ACID | B | 1K5Q | 0.73 | |
PAC | 2-PHENYLACETIC ACID | B | 1FXH | 0.73 | |
PAC | 2-PHENYLACETIC ACID | A | 2ISF | 0.73 | |
PAC | 2-PHENYLACETIC ACID | A | 2INE | 0.73 | |
5PV | 5-PHENYLVALERIC ACID | A,B | 2AY9 | 0.71 | |
ENO | 3-(4-HYDROXY-PHENYL)PYRUVIC ACID | H,I | 1A2C | 0.71 | |
ENO | 3-(4-HYDROXY-PHENYL)PYRUVIC ACID | A,B,C | 1CA7 | 0.71 | |
ENO | 3-(4-HYDROXY-PHENYL)PYRUVIC ACID | A,B,C,D | 3GGO | 0.71 | |
4HP | 4-HYDROXYPHENYLACETATE | A,B,C,D | 2JBT | 0.71 | |
4HP | 4-HYDROXYPHENYLACETATE | A | 2YYJ | 0.71 | |
4HP | 4-HYDROXYPHENYLACETATE | A | 2YYM | 0.71 | |
4HP | 4-HYDROXYPHENYLACETATE | B | 1AI6 | 0.71 | |
4HP | 4-HYDROXYPHENYLACETATE | M,N,O,P,Q,R | 3PCG | 0.71 | |
HZ3 | dimethyl (1R,4S)-5,6-bis(4-hydroxyphenyl)- 7-oxabicyclo[2.2.1]hepta-2,5-diene- 2,3-dicarboxylate | A,B | 2QR9 | 0.7 | |
173 | BENZOYL-FORMIC ACID | A,B | 1SZE | 0.71 | |
SMN | (S)-MANDELIC ACID | A | 1MDL | 0.82 | |
RSO | R-STYRENE OXIDE | A,B | 1PWZ | 0.79 | |
APG | ATROLACTIC ACID (2-PHENYL-LACTIC ACID) | A | 1MRA | 0.76 | |
APG | ATROLACTIC ACID (2-PHENYL-LACTIC ACID) | A | 1MNS | 0.76 | |
APG | ATROLACTIC ACID (2-PHENYL-LACTIC ACID) | A | 1DTN | 0.76 | |
APG | ATROLACTIC ACID (2-PHENYL-LACTIC ACID) | A | 1MDR | 0.76 | |
BZM | BENZOIC ACID PHENYLMETHYLESTER | A,B | 1DZM | 0.79 | |
YRG | (2S)-2-(4-chlorophenoxy)-3-phenylpropanoic acid | A | 3CDP | 0.72 | |
HFA | ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID | 0,1,3,4,5,9, A,B,C,H,J,K, L,M,N,O,Q,R, S,T,U,Y,Z | 1VQ6 | 0.79 | |
HFA | ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID | A,B | 1C1X | 0.79 | |
HFA | ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID | 0,1,3,4,9,A, B,C,D,F,H,J, K,L,M,N,O,Q, R,S,T,U,Y,Z | 1VQP | 0.79 | |
HFA | ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID | 0,1,2,3,4,5, 9,A,B,C,D,F, H,J,K,L,M,N, O,Q,R,S,T,U, Y,Z | 1VQN | 0.79 | |
HFA | ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID | I | 1QRP | 0.79 | |
HFA | ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID | A | 2CTC | 0.79 | |
HFA | ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID | I | 1E82 | 0.79 | |
HFA | ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID | I | 1E81 | 0.79 | |
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 | |
DBA | (2,6-DIMETHYL-PHENOXY)-ACETIC ACID | A,B | 1IDB | 0.73 | |
HHH | (2S)-hydroxy(4-hydroxyphenyl)ethanoic acid | A,B | 2R5V | 0.73 |