Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02134225
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 |
FL2![]() | FLURBIPROFEN METHYL ESTER | A,B | 1HT5 | 0.85 | ![]() |
FLP![]() | FLURBIPROFEN | A,B,C,D | 3PGH | 0.79 | ![]() |
FLP![]() | FLURBIPROFEN | A,B | 1CQE | 0.79 | ![]() |
FLP![]() | FLURBIPROFEN | A,B | 1EQH | 0.79 | ![]() |
FLP![]() | FLURBIPROFEN | A,B | 2AYL | 0.79 | ![]() |
FLP![]() | FLURBIPROFEN | A | 1DVT | 0.79 | ![]() |
FLP![]() | FLURBIPROFEN | A | 1R9O | 0.79 | ![]() |
5PV![]() | 5-PHENYLVALERIC ACID | A,B | 2AY9 | 0.77 | ![]() |
DPH![]() | DEAMINO-METHYL-PHENYLALANINE | A | 1OS0 | 0.77 | ![]() |
DPH![]() | DEAMINO-METHYL-PHENYLALANINE | A,B | 2JJI | 0.77 | ![]() |
DPH![]() | DEAMINO-METHYL-PHENYLALANINE | A,B | 2JJJ | 0.77 | ![]() |
DPH![]() | DEAMINO-METHYL-PHENYLALANINE | A,B | 2VS2 | 0.77 | ![]() |
DPH![]() | DEAMINO-METHYL-PHENYLALANINE | A,B | 1OD1 | 0.77 | ![]() |
DPH![]() | DEAMINO-METHYL-PHENYLALANINE | E | 1EPR | 0.77 | ![]() |
PPT![]() | 3-(P-TOLYL)PROPIONIC ACID | A,B | 2AY4 | 0.77 | ![]() |
KPV![]() | 5-PHENYL-2-KETO-VALERIC ACID | A,B | 2Q5Q | 0.77 | ![]() |
BFL![]() | A,B | 1Q4G | 0.76 | ![]() | |
DFA![]() | DIPHENYLACETIC ACID | A,B,C | 1GMY | 0.76 | ![]() |
OST![]() | METHYL (2Z)-3-METHOXY-2-{2-[(E)- 2-PHENYLVINYL]PHENYL}ACRYLATE | C,D,E | 1SQQ | 0.76 | ![]() |
HCI![]() | HYDROCINNAMIC ACID | A,B | 1BXG | 0.76 | ![]() |
HCI![]() | HYDROCINNAMIC ACID | A,B | 1TOG | 0.76 | ![]() |
HCI![]() | HYDROCINNAMIC ACID | A,B | 1V2F | 0.76 | ![]() |
HCI![]() | HYDROCINNAMIC ACID | A,B | 1AHX | 0.76 | ![]() |
HCI![]() | HYDROCINNAMIC ACID | A | 1TOI | 0.76 | ![]() |
HCI![]() | HYDROCINNAMIC ACID | A,B | 1AY8 | 0.76 | ![]() |
HCI![]() | HYDROCINNAMIC ACID | A | 1TOJ | 0.76 | ![]() |
CLT![]() | 4-PHENYL-BUTANOIC ACID | A | 1THL | 0.75 | ![]() |
CLT![]() | 4-PHENYL-BUTANOIC ACID | A,B | 2AY7 | 0.75 | ![]() |
CLT![]() | 4-PHENYL-BUTANOIC ACID | E,I | 1TMN | 0.75 | ![]() |
PPY![]() | 3-PHENYLPYRUVIC ACID | A,B | 2Q5O | 0.75 | ![]() |
PPY![]() | 3-PHENYLPYRUVIC ACID | A,B | 1LCO | 0.75 | ![]() |
PPY![]() | 3-PHENYLPYRUVIC ACID | A,B,C,D,E,F | 2ZF4 | 0.75 | ![]() |
PPY![]() | 3-PHENYLPYRUVIC ACID | A,B | 1BW9 | 0.75 | ![]() |
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 | ![]() |
791![]() | 2-PHENYLMALONIC ACID | A | 1O4P | 0.74 | ![]() |
AN1![]() | 3-(10-METHYL-ANTHRACEN-9-YL)-PROPIONIC ACID | H,Y | 1LO3 | 0.74 | ![]() |
BIP![]() | 2-BENZYL-3-IODOPROPANOIC ACID | A,B,C,D | 1BAV | 0.73 | ![]() |
ELI![]() | 6-(3-METHYL-1,4-DIOXO-1,4-DIHYDRONAPHTHALEN- 2-YL)HEXANOIC ACID | A,B | 2GH5 | 0.73 | ![]() |
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 | ![]() |
M5P![]() | (S)-2-(MERCAPTOMETHYL)-5-PHENYLPENTANOIC ACID | A,B | 2YZ3 | 0.72 | ![]() |
UIN![]() | 5,6,7,8,9,10-HEXAHYDRO-4-HYDROXY- 3-(1-PHENYLPROPYL)CYCLOOCTA[B]PYRAN- 2-ONE | B | 5UPJ | 0.72 | ![]() |
NIU![]() | 6,7,8,9-TETRAHYDRO-4-HYDROXY-3- (1-PHENYLPROPYL)CYCLOHEPTA[B]PYRAN- 2-ONE | A | 6UPJ | 0.72 | ![]() |
FBC![]() | A,B | 2B9A | 0.72 | ![]() | |
OPH![]() | 2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTER | E,I | 1PPM | 0.72 | ![]() |
OPH![]() | 2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTER | E,I | 1PPL | 0.72 | ![]() |
BZS![]() | L-BENZYLSUCCINIC ACID | A | 1CBX | 0.72 | ![]() |
BZS![]() | L-BENZYLSUCCINIC ACID | A | 1HYT | 0.72 | ![]() |
BZS![]() | L-BENZYLSUCCINIC ACID | A,B | 1WHT | 0.72 | ![]() |
26C![]() | A,B | 2F7I | 0.72 | ![]() | |
4FC![]() | A | 1YSG | 0.71 | ![]() | |
295![]() | (2S,3S)-3-(4-fluorophenyl)-2,3- dihydroxypropanoic acid | A,B | 2RJR | 0.71 | ![]() |
NLA![]() | NAPHTHALEN-1-YL-ACETIC ACID | A,B,C,D | 1LRH | 0.71 | ![]() |
NLA![]() | NAPHTHALEN-1-YL-ACETIC ACID | B | 2P1O | 0.71 | ![]() |
BNA![]() | BIS-(NAPHTHYL-1-METHYL) ACETIC ACID | I | 4ER1 | 0.71 | ![]() |
BNA![]() | BIS-(NAPHTHYL-1-METHYL) ACETIC ACID | A | 1FQ5 | 0.71 | ![]() |
156![]() | 4-[3-OXO-3-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRO-NAPHTHALEN-2- YL)-PROPENYL]-BENZOIC ACID | A | 1FCZ | 0.71 | ![]() |
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 | 0.71 | ![]() |
HFA![]() | ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID | A,B | 1C1X | 0.71 | ![]() |
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 | 0.71 | ![]() |
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 | 0.71 | ![]() |
HFA![]() | ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID | I | 1QRP | 0.71 | ![]() |
HFA![]() | ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID | A | 2CTC | 0.71 | ![]() |
HFA![]() | ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID | I | 1E82 | 0.71 | ![]() |
HFA![]() | ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID | I | 1E81 | 0.71 | ![]() |
BTP![]() | 2-THIOMETHYL-3-PHENYLPROPANOIC ACID | A,B | 1JAO | 0.71 | ![]() |
BZQ![]() | DIPHENYLMETHANONE | A,B | 1GT5 | 0.7 | ![]() |
BZQ![]() | DIPHENYLMETHANONE | A,B | 1DZP | 0.7 | ![]() |