Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03808050
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 |
S1A![]() | SORAPHEN A | A,B | 3GID | 0.73 | ![]() |
S1A![]() | SORAPHEN A | A,B,C | 1W96 | 0.73 | ![]() |
PPT![]() | 3-(P-TOLYL)PROPIONIC ACID | A,B | 2AY4 | 0.7 | ![]() |
SWF![]() | S-WARFARIN | A,B | 1OG5 | 0.71 | ![]() |
DPH![]() | DEAMINO-METHYL-PHENYLALANINE | A | 1OS0 | 0.72 | ![]() |
DPH![]() | DEAMINO-METHYL-PHENYLALANINE | A,B | 2JJI | 0.72 | ![]() |
DPH![]() | DEAMINO-METHYL-PHENYLALANINE | A,B | 2JJJ | 0.72 | ![]() |
DPH![]() | DEAMINO-METHYL-PHENYLALANINE | A,B | 2VS2 | 0.72 | ![]() |
DPH![]() | DEAMINO-METHYL-PHENYLALANINE | A,B | 1OD1 | 0.72 | ![]() |
DPH![]() | DEAMINO-METHYL-PHENYLALANINE | E | 1EPR | 0.72 | ![]() |
SMN![]() | (S)-MANDELIC ACID | A | 1MDL | 0.7 | ![]() |
WRS![]() | 4-HYDROXY-3-[(1S,3S)-3-HYDROXY- 1-PHENYLBUTYL]-2H-CHROMEN-2-ONE | A | 1HA2 | 0.72 | ![]() |
PFI![]() | (6S)-6-CYCLOPENTYL-6-[2-(3-FLUORO- 4-ISOPROPOXYPHENYL)ETHYL]-4-HYDROXY- 5,6-DIHYDRO-2H-PYRAN-2-ONE | A | 2HAI | 0.7 | ![]() |
HCI![]() | HYDROCINNAMIC ACID | A,B | 1BXG | 0.7 | ![]() |
HCI![]() | HYDROCINNAMIC ACID | A,B | 1TOG | 0.7 | ![]() |
HCI![]() | HYDROCINNAMIC ACID | A,B | 1V2F | 0.7 | ![]() |
HCI![]() | HYDROCINNAMIC ACID | A,B | 1AHX | 0.7 | ![]() |
HCI![]() | HYDROCINNAMIC ACID | A | 1TOI | 0.7 | ![]() |
HCI![]() | HYDROCINNAMIC ACID | A,B | 1AY8 | 0.7 | ![]() |
HCI![]() | HYDROCINNAMIC ACID | A | 1TOJ | 0.7 | ![]() |
WRR![]() | 4-HYDROXY-3-[(1S,3R)-3-HYDROXY- 1-PHENYLBUTYL]-2H-CHROMEN-2-ONE | A | 1H9Z | 0.72 | ![]() |
BIP![]() | 2-BENZYL-3-IODOPROPANOIC ACID | A,B,C,D | 1BAV | 0.7 | ![]() |
OST![]() | METHYL (2Z)-3-METHOXY-2-{2-[(E)- 2-PHENYLVINYL]PHENYL}ACRYLATE | C,D,E | 1SQQ | 0.74 | ![]() |
EMF![]() | ethyl (1S,2S)-2-(4-hydroxy-3-methoxyphenyl)cyclopropanecarboxylate | A,B | 2QZZ | 0.71 | ![]() |
EMF![]() | ethyl (1S,2S)-2-(4-hydroxy-3-methoxyphenyl)cyclopropanecarboxylate | A,B | 2R2G | 0.71 | ![]() |
DFA![]() | DIPHENYLACETIC ACID | A,B,C | 1GMY | 0.71 | ![]() |
KPV![]() | 5-PHENYL-2-KETO-VALERIC ACID | A,B | 2Q5Q | 0.7 | ![]() |
OSB![]() | 2-SUCCINYLBENZOATE | A | 1FHV | 0.7 | ![]() |
OSB![]() | 2-SUCCINYLBENZOATE | A,B,C,D | 1SJB | 0.7 | ![]() |
OSB![]() | 2-SUCCINYLBENZOATE | A,B | 2QVH | 0.7 | ![]() |
U03![]() | 4-HYDROXY-7-METHOXY-3-(1-PHENYL- PROPYL)-CHROMEN-2-ONE | A | 3UPJ | 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 | 0.72 | ![]() |
UIN![]() | 5,6,7,8,9,10-HEXAHYDRO-4-HYDROXY- 3-(1-PHENYLPROPYL)CYCLOOCTA[B]PYRAN- 2-ONE | B | 5UPJ | 0.9 | ![]() |
5PV![]() | 5-PHENYLVALERIC ACID | A,B | 2AY9 | 0.71 | ![]() |
NIU![]() | 6,7,8,9-TETRAHYDRO-4-HYDROXY-3- (1-PHENYLPROPYL)CYCLOHEPTA[B]PYRAN- 2-ONE | A | 6UPJ | 0.86 | ![]() |
ODE![]() | DIETHYL (1R,2S,3R,4S)-5,6-BIS(4- HYDROXYPHENYL)-7-OXABICYCLO[2.2.1]HEPT- 5-ENE-2,3-DICARBOXYLATE | A,B | 2QH6 | 0.73 | ![]() |
RWF![]() | R-WARFARIN | A,B | 2BXD | 0.71 | ![]() |
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 | 0.72 | ![]() |
IBP![]() | IBUPROFEN | A | 3FKX | 0.71 | ![]() |
IBP![]() | IBUPROFEN | A,B | 2BXG | 0.71 | ![]() |
IBP![]() | IBUPROFEN | A,B | 1EQG | 0.71 | ![]() |
IBP![]() | IBUPROFEN | A,B,C | 2WD9 | 0.71 | ![]() |
IBP![]() | IBUPROFEN | A | 2PWS | 0.71 | ![]() |
GRO![]() | R-2-PHENYL-PROPRIONIC ACID | B | 1K5S | 0.71 | ![]() |
GRO![]() | R-2-PHENYL-PROPRIONIC ACID | B | 1KEC | 0.71 | ![]() |
GRO![]() | R-2-PHENYL-PROPRIONIC ACID | B | 1K7D | 0.71 | ![]() |
ELI![]() | 6-(3-METHYL-1,4-DIOXO-1,4-DIHYDRONAPHTHALEN- 2-YL)HEXANOIC ACID | A,B | 2GH5 | 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 | ![]() |
RMN![]() | (R)-MANDELIC ACID | A | 1MDL | 0.7 | ![]() |
RMN![]() | (R)-MANDELIC ACID | A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P | 1MCZ | 0.7 | ![]() |