Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03007878
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 |
AN1![]() | 3-(10-METHYL-ANTHRACEN-9-YL)-PROPIONIC ACID | H,Y | 1LO3 | 0.76 | ![]() |
PPT![]() | 3-(P-TOLYL)PROPIONIC ACID | A,B | 2AY4 | 0.78 | ![]() |
CLT![]() | 4-PHENYL-BUTANOIC ACID | A | 1THL | 0.74 | ![]() |
CLT![]() | 4-PHENYL-BUTANOIC ACID | A,B | 2AY7 | 0.74 | ![]() |
CLT![]() | 4-PHENYL-BUTANOIC ACID | E,I | 1TMN | 0.74 | ![]() |
PPY![]() | 3-PHENYLPYRUVIC ACID | A,B | 2Q5O | 0.7 | ![]() |
PPY![]() | 3-PHENYLPYRUVIC ACID | A,B | 1LCO | 0.7 | ![]() |
PPY![]() | 3-PHENYLPYRUVIC ACID | A,B,C,D,E,F | 2ZF4 | 0.7 | ![]() |
PPY![]() | 3-PHENYLPYRUVIC ACID | A,B | 1BW9 | 0.7 | ![]() |
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 | ![]() |
BNA![]() | BIS-(NAPHTHYL-1-METHYL) ACETIC ACID | I | 4ER1 | 0.72 | ![]() |
BNA![]() | BIS-(NAPHTHYL-1-METHYL) ACETIC ACID | A | 1FQ5 | 0.72 | ![]() |
BFL![]() | A,B | 1Q4G | 0.79 | ![]() | |
HCI![]() | HYDROCINNAMIC ACID | A,B | 1BXG | 0.74 | ![]() |
HCI![]() | HYDROCINNAMIC ACID | A,B | 1TOG | 0.74 | ![]() |
HCI![]() | HYDROCINNAMIC ACID | A,B | 1V2F | 0.74 | ![]() |
HCI![]() | HYDROCINNAMIC ACID | A,B | 1AHX | 0.74 | ![]() |
HCI![]() | HYDROCINNAMIC ACID | A | 1TOI | 0.74 | ![]() |
HCI![]() | HYDROCINNAMIC ACID | A,B | 1AY8 | 0.74 | ![]() |
HCI![]() | HYDROCINNAMIC ACID | A | 1TOJ | 0.74 | ![]() |
RS7![]() | (2E)-3-(2-OCT-1-YN-1-YLPHENYL)ACRYLIC ACID | A,B | 2P0M | 0.86 | ![]() |
RS7![]() | (2E)-3-(2-OCT-1-YN-1-YLPHENYL)ACRYLIC ACID | A | 1LOX | 0.86 | ![]() |
1PB![]() | 1,4-DIPHENYL-2-BUTENE | A,B | 1OJ9 | 0.76 | ![]() |
BZS![]() | L-BENZYLSUCCINIC ACID | A | 1CBX | 0.71 | ![]() |
BZS![]() | L-BENZYLSUCCINIC ACID | A | 1HYT | 0.71 | ![]() |
BZS![]() | L-BENZYLSUCCINIC ACID | A,B | 1WHT | 0.71 | ![]() |
FL2![]() | FLURBIPROFEN METHYL ESTER | A,B | 1HT5 | 0.74 | ![]() |
KPV![]() | 5-PHENYL-2-KETO-VALERIC ACID | A,B | 2Q5Q | 0.72 | ![]() |
ARL![]() | 7-(3,5-DITERT-BUTYLPHENYL)-3-METHYLOCTA- 2,4,6-TRIENOIC ACID | A | 1NQ7 | 0.81 | ![]() |
BIP![]() | 2-BENZYL-3-IODOPROPANOIC ACID | A,B,C,D | 1BAV | 0.72 | ![]() |
PYL![]() | PHENYLETHANE | C | 1B07 | 0.71 | ![]() |
PYL![]() | PHENYLETHANE | A,B | 2VRM | 0.71 | ![]() |
PYL![]() | PHENYLETHANE | A | 1NHB | 0.71 | ![]() |
FEP![]() | [(4-{4-[4-(DIFLUORO-PHOSPHONO-METHYL)- PHENYL]-BUTYL}-PHENYL)-DIFLUORO- METHYL]-PHOSPHONIC ACID | A | 1KAV | 0.71 | ![]() |
IBP![]() | IBUPROFEN | A | 3FKX | 0.77 | ![]() |
IBP![]() | IBUPROFEN | A,B | 2BXG | 0.77 | ![]() |
IBP![]() | IBUPROFEN | A,B | 1EQG | 0.77 | ![]() |
IBP![]() | IBUPROFEN | A,B,C | 2WD9 | 0.77 | ![]() |
IBP![]() | IBUPROFEN | A | 2PWS | 0.77 | ![]() |
N4B![]() | N-BUTYLBENZENE | A | 186L | 0.71 | ![]() |
NPY![]() | NAPHTHALENE | A,B | 1O7G | 0.7 | ![]() |
PXY![]() | PARA-XYLENE | A | 187L | 0.71 | ![]() |
PXY![]() | PARA-XYLENE | A | 225L | 0.71 | ![]() |
M5P![]() | (S)-2-(MERCAPTOMETHYL)-5-PHENYLPENTANOIC ACID | A,B | 2YZ3 | 0.71 | ![]() |
DPH![]() | DEAMINO-METHYL-PHENYLALANINE | A | 1OS0 | 0.76 | ![]() |
DPH![]() | DEAMINO-METHYL-PHENYLALANINE | A,B | 2JJI | 0.76 | ![]() |
DPH![]() | DEAMINO-METHYL-PHENYLALANINE | A,B | 2JJJ | 0.76 | ![]() |
DPH![]() | DEAMINO-METHYL-PHENYLALANINE | A,B | 2VS2 | 0.76 | ![]() |
DPH![]() | DEAMINO-METHYL-PHENYLALANINE | A,B | 1OD1 | 0.76 | ![]() |
DPH![]() | DEAMINO-METHYL-PHENYLALANINE | E | 1EPR | 0.76 | ![]() |
5PV![]() | 5-PHENYLVALERIC ACID | A,B | 2AY9 | 0.76 | ![]() |
GW5![]() | (2E)-3-{4-[(1E)-1,2-DIPHENYLBUT- 1-ENYL]PHENYL}ACRYLIC ACID | A,B,C | 1R5K | 0.85 | ![]() |
I4B![]() | ISOBUTYLBENZENE | A | 184L | 0.71 | ![]() |
FLP![]() | FLURBIPROFEN | A,B,C,D | 3PGH | 0.76 | ![]() |
FLP![]() | FLURBIPROFEN | A,B | 1CQE | 0.76 | ![]() |
FLP![]() | FLURBIPROFEN | A,B | 1EQH | 0.76 | ![]() |
FLP![]() | FLURBIPROFEN | A,B | 2AYL | 0.76 | ![]() |
FLP![]() | FLURBIPROFEN | A | 1DVT | 0.76 | ![]() |
FLP![]() | FLURBIPROFEN | A | 1R9O | 0.76 | ![]() |
CVB![]() | 4-(CARBOXYVIN-2-YL)PHENYLBORONIC ACID | A,B | 1KE0 | 0.76 | ![]() |
BDB![]() | A,B | 1KE3 | 0.79 | ![]() | |
PBA![]() | PHENYLETHANE BORONIC ACID | C,G | 6CHA | 0.74 | ![]() |
DFA![]() | DIPHENYLACETIC ACID | A,B,C | 1GMY | 0.77 | ![]() |
OXE![]() | ORTHO-XYLENE | A,B | 3E0X | 0.71 | ![]() |
OXE![]() | ORTHO-XYLENE | A | 188L | 0.71 | ![]() |
BP4![]() | BIPHENYL-4-YL-ACETALDEHYDE | A,B,E,F,G,H | 1MHW | 0.73 | ![]() |
ELI![]() | 6-(3-METHYL-1,4-DIOXO-1,4-DIHYDRONAPHTHALEN- 2-YL)HEXANOIC ACID | A,B | 2GH5 | 0.7 | ![]() |
TCA![]() | PHENYLETHYLENECARBOXYLIC ACID | A | 1BE6 | 0.77 | ![]() |
TCA![]() | PHENYLETHYLENECARBOXYLIC ACID | A | 1BE8 | 0.77 | ![]() |
TCA![]() | PHENYLETHYLENECARBOXYLIC ACID | A,B,C,D,E,F, G,H | 2O78 | 0.77 | ![]() |
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 | 0.83 | ![]() |
FPR![]() | PROPYLBENZENE | C | 1RHK | 0.71 | ![]() |
NLA![]() | NAPHTHALEN-1-YL-ACETIC ACID | A,B,C,D | 1LRH | 0.72 | ![]() |
NLA![]() | NAPHTHALEN-1-YL-ACETIC ACID | B | 2P1O | 0.72 | ![]() |
PAC![]() | 2-PHENYLACETIC ACID | B | 1PNL | 0.72 | ![]() |
PAC![]() | 2-PHENYLACETIC ACID | B | 1K5Q | 0.72 | ![]() |
PAC![]() | 2-PHENYLACETIC ACID | B | 1FXH | 0.72 | ![]() |
PAC![]() | 2-PHENYLACETIC ACID | A | 2ISF | 0.72 | ![]() |
PAC![]() | 2-PHENYLACETIC ACID | A | 2INE | 0.72 | ![]() |