Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02177516
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 |
BNA | BIS-(NAPHTHYL-1-METHYL) ACETIC ACID | I | 4ER1 | 0.78 |  |
| BNA | BIS-(NAPHTHYL-1-METHYL) ACETIC ACID | A | 1FQ5 | 0.78 | |
BFL | A,B | 1Q4G | 0.76 | | |
B28 | A,B | 2E9A | 0.75 | | |
BIP | 2-BENZYL-3-IODOPROPANOIC ACID | A,B,C,D | 1BAV | 0.74 | |
AN1 | 3-(10-METHYL-ANTHRACEN-9-YL)-PROPIONIC ACID | H,Y | 1LO3 | 0.79 | |
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 | |
5PV | 5-PHENYLVALERIC ACID | A,B | 2AY9 | 0.77 | |
M5P | (S)-2-(MERCAPTOMETHYL)-5-PHENYLPENTANOIC ACID | A,B | 2YZ3 | 0.72 | |
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 | |
HSI | (3R)-3-{4-[(4-CHLOROPHENYL)ETHYNYL]BENZOYL}NONANOIC ACID | A | 2Z2D | 0.71 | |
TTB | 4-[(1E)-2-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRONAPHTHALEN-2- YL)PROP-1-ENYL]BENZOIC ACID | A | 1XAP | 0.74 | |
PPT | 3-(P-TOLYL)PROPIONIC ACID | A,B | 2AY4 | 0.75 | |
1OH | 4-(1-methyl-1-phenylethyl)phenol | A | 2ZAS | 0.71 | |
GW5 | (2E)-3-{4-[(1E)-1,2-DIPHENYLBUT- 1-ENYL]PHENYL}ACRYLIC ACID | A,B,C | 1R5K | 0.76 | |
R13 | 3-METHYL-7-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRO-NAPHTHALEN-2- YL) -OCTA-2,4,6-TRIENOIC ACID | A | 2CBS | 0.74 | |
RS7 | (2E)-3-(2-OCT-1-YN-1-YLPHENYL)ACRYLIC ACID | A,B | 2P0M | 0.74 | |
| RS7 | (2E)-3-(2-OCT-1-YN-1-YLPHENYL)ACRYLIC ACID | A | 1LOX | 0.74 | |
UIN | 5,6,7,8,9,10-HEXAHYDRO-4-HYDROXY- 3-(1-PHENYLPROPYL)CYCLOOCTA[B]PYRAN- 2-ONE | B | 5UPJ | 0.7 | |
156 | 4-[3-OXO-3-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRO-NAPHTHALEN-2- YL)-PROPENYL]-BENZOIC ACID | A | 1FCZ | 0.74 | |
APG | ATROLACTIC ACID (2-PHENYL-LACTIC ACID) | A | 1MRA | 0.7 | |
| APG | ATROLACTIC ACID (2-PHENYL-LACTIC ACID) | A | 1MNS | 0.7 | |
| APG | ATROLACTIC ACID (2-PHENYL-LACTIC ACID) | A | 1DTN | 0.7 | |
| APG | ATROLACTIC ACID (2-PHENYL-LACTIC ACID) | A | 1MDR | 0.7 | |
CLT | 4-PHENYL-BUTANOIC ACID | A | 1THL | 0.77 | |
| CLT | 4-PHENYL-BUTANOIC ACID | A,B | 2AY7 | 0.77 | |
| CLT | 4-PHENYL-BUTANOIC ACID | E,I | 1TMN | 0.77 | |
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 | |
FLP | FLURBIPROFEN | A,B,C,D | 3PGH | 0.74 | |
| FLP | FLURBIPROFEN | A,B | 1CQE | 0.74 | |
| FLP | FLURBIPROFEN | A,B | 1EQH | 0.74 | |
| FLP | FLURBIPROFEN | A,B | 2AYL | 0.74 | |
| FLP | FLURBIPROFEN | A | 1DVT | 0.74 | |
| FLP | FLURBIPROFEN | A | 1R9O | 0.74 | |
ELI | 6-(3-METHYL-1,4-DIOXO-1,4-DIHYDRONAPHTHALEN- 2-YL)HEXANOIC ACID | A,B | 2GH5 | 0.71 | |
BDB | A,B | 1KE3 | 0.7 | | |
BPZ | 4,4'-cyclohexane-1,1-diyldiphenol | A | 2ZKC | 0.75 | |
TBC | (9S,10R)-9-HYDROXY-7,8,9,10-TETRAHYDROBENZO[A]PYRENE | A | 1N8C | 0.71 | |
PPY | 3-PHENYLPYRUVIC ACID | A,B | 2Q5O | 0.74 | |
| PPY | 3-PHENYLPYRUVIC ACID | A,B | 1LCO | 0.74 | |
| PPY | 3-PHENYLPYRUVIC ACID | A,B,C,D,E,F | 2ZF4 | 0.74 | |
| PPY | 3-PHENYLPYRUVIC ACID | A,B | 1BW9 | 0.74 | |
L79 | (S)-(2E)-3[4-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRO-2-NAPHTHALENYL)TETRAHYDRO- 1-BENZOFURAN-2-YL]-2-PROPENOIC ACID | A,D | 1RDT | 0.71 | |
2E3 | (2E)-3-[4-hydroxy-3-(3,5,5,8,8- pentamethyl-5,6,7,8-tetrahydronaphthalen- 2-yl)phenyl]prop-2-enoic acid | A | 3FUG | 0.73 | |
OX1 | H,Y | 1LO2 | 0.74 | | |
NLA | NAPHTHALEN-1-YL-ACETIC ACID | A,B,C,D | 1LRH | 0.75 | |
| NLA | NAPHTHALEN-1-YL-ACETIC ACID | B | 2P1O | 0.75 | |
HXS | 4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenol | A,B | 3CV6 | 0.7 | |
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 | |
NIU | 6,7,8,9-TETRAHYDRO-4-HYDROXY-3- (1-PHENYLPROPYL)CYCLOHEPTA[B]PYRAN- 2-ONE | A | 6UPJ | 0.7 | |
564 | 6-(5,5,8,8-TETRAMETHYL-5,6,7,8- TETRAHYDRO-NAPHTALENE-2-CARBONYL)- NAPHTALENE-2-CARBOXYLIC ACID | A | 1FCY | 0.71 | |
791 | 2-PHENYLMALONIC ACID | A | 1O4P | 0.71 | |
B08 | A,B | 2E99 | 0.76 | | |
BZS | L-BENZYLSUCCINIC ACID | A | 1CBX | 0.74 | |
| BZS | L-BENZYLSUCCINIC ACID | A | 1HYT | 0.74 | |
| BZS | L-BENZYLSUCCINIC ACID | A,B | 1WHT | 0.74 | |
FL2 | FLURBIPROFEN METHYL ESTER | A,B | 1HT5 | 0.71 | |
ARL | 7-(3,5-DITERT-BUTYLPHENYL)-3-METHYLOCTA- 2,4,6-TRIENOIC ACID | A | 1NQ7 | 0.74 | |
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 | |
BTP | 2-THIOMETHYL-3-PHENYLPROPANOIC ACID | A,B | 1JAO | 0.71 | |
DFA | DIPHENYLACETIC ACID | A,B,C | 1GMY | 0.78 | |
KPV | 5-PHENYL-2-KETO-VALERIC ACID | A,B | 2Q5Q | 0.76 | |
2OH | 4,4'-PROPANE-2,2-DIYLDIPHENOL | A | 2E2R | 0.72 | |
| 2OH | 4,4'-PROPANE-2,2-DIYLDIPHENOL | A | 2P7G | 0.72 | |