Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03177002
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 |
C47![]() | METHYL (3R)-1-[(5S,6S,8R)-5-AMINO- 9-BUTYLAMINO-6-HYDROXY-3,3,8-TRIMETHYL- 9-OXO-NONANOYL]-3,4-DIHYDRO-2H- QUINOLINE-3-CARBOXYLATE | C,O | 2V16 | 0.81 | ![]() |
TNS![]() | A,B,L | 2G2R | 0.71 | ![]() | |
HAQ![]() | 5-AMINO-4-OXO-1,2,4,5,6,7-HEXAHYDRO- AZEPINO[3,2,1-HI]INDOLE-2-CARBOXYLIC ACID | D | 1D5X | 0.81 | ![]() |
SPB![]() | 4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACID | B,H | 1UB5 | 0.72 | ![]() |
SPB![]() | 4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACID | A,B,H,L | 3CFB | 0.72 | ![]() |
SPB![]() | 4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACID | B,H | 3CFD | 0.72 | ![]() |
SPB![]() | 4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACID | A,L | 1FL3 | 0.72 | ![]() |
FEX![]() | A | 1OSH | 0.75 | ![]() | |
TI3![]() | [(2S)-2-SULFANYL-3-PHENYLPROPANOYL]- GLY-(5-PHENYLPROLINE) | A | 1QF2 | 0.7 | ![]() |
486![]() | 11-(4-DIMETHYLAMINO-PHENYL)-17- HYDROXY-13-METHYL-17-PROP-1-YNYL- 1,2,6,7,8,11,12,13,14,15,16,17- DODEC AHYDRO-CYCLOPENTA[A]PHENANTHREN- 3-ONE | A | 1NHZ | 0.73 | ![]() |
486![]() | 11-(4-DIMETHYLAMINO-PHENYL)-17- HYDROXY-13-METHYL-17-PROP-1-YNYL- 1,2,6,7,8,11,12,13,14,15,16,17- DODEC AHYDRO-CYCLOPENTA[A]PHENANTHREN- 3-ONE | A,B | 2W8Y | 0.73 | ![]() |
HAZ![]() | 4-{4-[2-(1A,7A-DIMETHYL-4-OXY-OCTAHYDRO- 1-OXA-4-AZA-CYCLOPROPA[A]NAPHTHALEN- 4-YL) -ACETYLAMINO]-PHENYLCARBAMOYL}- BUTYRIC ACID | H,L | 1CF8 | 0.73 | ![]() |
LZQ![]() | 4-[3-(dibenzylamino)phenyl]-2,4- dioxobutanoic acid | A | 3EB1 | 0.71 | ![]() |
GF7![]() | (3S)-1-(4-acetylphenyl)-5-oxopyrrolidine- 3-carboxylic acid | A | 3GQZ | 0.72 | ![]() |
L04![]() | A | 1HFS | 0.74 | ![]() | |
NOX![]() | N-(PARA-GLUTARAMIDOPHENYL-ETHYL)- PIPERIDINIUM-N-OXIDE | L | 35C8 | 0.74 | ![]() |
AJM![]() | AJMALINE | A,B,C,D | 3CBI | 0.71 | ![]() |
AJM![]() | AJMALINE | A | 3FG5 | 0.71 | ![]() |
AJM![]() | AJMALINE | A | 1ZR8 | 0.71 | ![]() |
AJM![]() | AJMALINE | A | 2QUE | 0.71 | ![]() |
CBL![]() | CHLORAMBUCIL | A,B | 3CSJ | 0.73 | ![]() |
4DP![]() | 3-[5-(DIMETHYLAMINO)-1,3-DIOXO- 1,3-DIHYDRO-2H-ISOINDOL-2-YL]-L- ALANINE | C | 2IPK | 0.7 | ![]() |
GEP![]() | N-METHYL-N-(PARA-GLUTARAMIDOPHENYL- ETHYL)-PIPERIDINIUM ION | L | 25C8 | 0.76 | ![]() |
3CY![]() | (3S)-3-[({(2S)-5-[(N-ACETYL-L-ALPHA- ASPARTYL)AMINO]-4-OXO-1,2,4,5,6,7- HEXAHYDROAZEPINO[3,2,1-HI]INDOL- 2-YL}CARBONYL)AMINO]-5-(BENZYLSULFANYL)- 4-OXOPENTANOIC ACID | A | 1RHU | 0.7 | ![]() |
BC1![]() | 3-{[(9-CYANO-9,10-DIHYDRO-10-METHYLACRIDIN- 9-YL)CARBONYL]AMINO}PROPANOIC ACID | H,Y | 1LO0 | 0.77 | ![]() |
MX5![]() | {1-[4-(3,4-DIHYDROQUINOLIN-1(2H)- YL)-4-OXOBUTANOYL]HYDRAZINO}ACETIC ACID | B,I | 2C2Z | 0.72 | ![]() |
A80![]() | N-(5,5,8,8-TETRAMETHYL-5,8-DIHYDRO- NAPHTHALEN-2-YL)-TEREPHTHALAMIC ACID | A | 2CBR | 0.7 | ![]() |
SU2![]() | 3-[4-(1-FORMYLPIPERAZIN-4-YL)-BENZYLIDENYL]- 2-INDOLINONE | A,B | 1AGW | 0.76 | ![]() |
P34![]() | N~2~,N~2~-DIMETHYL-N~1~-(6-OXO- 5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE | A,B | 3GEY | 0.71 | ![]() |
P34![]() | N~2~,N~2~-DIMETHYL-N~1~-(6-OXO- 5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE | A | 3CE0 | 0.71 | ![]() |
P34![]() | N~2~,N~2~-DIMETHYL-N~1~-(6-OXO- 5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE | A,B | 1XK9 | 0.71 | ![]() |
P34![]() | N~2~,N~2~-DIMETHYL-N~1~-(6-OXO- 5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE | A | 2Q6M | 0.71 | ![]() |
P34![]() | N~2~,N~2~-DIMETHYL-N~1~-(6-OXO- 5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE | A,B,C,D,E,F | 1ZM9 | 0.71 | ![]() |
PYQ![]() | PYROQUILON | A | 1JA9 | 0.8 | ![]() |
PYQ![]() | PYROQUILON | A,B,C,D | 1G0O | 0.8 | ![]() |