Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00466029
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 |
4DP![]() | 3-[5-(DIMETHYLAMINO)-1,3-DIOXO- 1,3-DIHYDRO-2H-ISOINDOL-2-YL]-L- ALANINE | C | 2IPK | 0.71 | ![]() |
NBY![]() | N-{[(4-nitrophenyl)carbonyl]carbamoyl}- beta-D-glucopyranosylamine | A | 2QN8 | 0.71 | ![]() |
CB1![]() | 5-(AZIRIDIN-1-YL)-2,4-DINITROBENZAMIDE | A,B | 1XI2 | 0.72 | ![]() |
CB1![]() | 5-(AZIRIDIN-1-YL)-2,4-DINITROBENZAMIDE | A,B | 1ZX1 | 0.72 | ![]() |
CB1![]() | 5-(AZIRIDIN-1-YL)-2,4-DINITROBENZAMIDE | A,B | 1IDT | 0.72 | ![]() |
CB1![]() | 5-(AZIRIDIN-1-YL)-2,4-DINITROBENZAMIDE | A,B | 2BZS | 0.72 | ![]() |
BAN![]() | HONH-BENZYLMALONYL-L-ALANYLGLYCINE- P-NITROANILIDE | A | 5TLN | 0.73 | ![]() |
SP9![]() | N-{(1R)-3-[(4-aminobutyl)amino]- 1-methylpropyl}benzamide | A,B | 3CNT | 0.71 | ![]() |
PNB![]() | 4-NITRO-BENZYLPHOSPHONOBUTANOYL- GLYCINE | A,L | 1YED | 0.72 | ![]() |
PNB![]() | 4-NITRO-BENZYLPHOSPHONOBUTANOYL- GLYCINE | H,L | 1YEC | 0.72 | ![]() |
PNB![]() | 4-NITRO-BENZYLPHOSPHONOBUTANOYL- GLYCINE | H | 1YEE | 0.72 | ![]() |
VG0![]() | N-{(1S,2R)-1-benzyl-2-hydroxy-3- [(1,1,5-trimethylhexyl)amino]propyl}- 3-(ethylamino)-5-(2-oxopyrrolidin- 1-yl)benzamide | A | 2VIE | 0.72 | ![]() |
VG5![]() | N-[(1S,2R)-1-benzyl-3-{[(1S)-2- (cyclohexylamino)-1-methyl-2-oxoethyl]amino}- 2-hydroxypropyl]-3-(ethylamino)- 5-(2-oxo-2,3-dihydro-1H-pyrrol- 1-yl)benzamide | A | 2VJ6 | 0.73 | ![]() |
GW9![]() | 2-chloro-5-nitro-N-phenylbenzamide | A,D | 3E00 | 0.71 | ![]() |
VG7![]() | N-[(1S,2R)-1-benzyl-3-(cyclohexylamino)- 2-hydroxypropyl]-3-(ethylamino)- 5-(2-oxopyrrolidin-1-yl)benzamide | A | 2VJ9 | 0.73 | ![]() |
SP8![]() | N-{(1S)-3-[(4-aminobutyl)amino]- 1-methylpropyl}benzamide | A,B | 3CNS | 0.71 | ![]() |
BEL![]() | 2,4-DINITRO,5-[BIS(2-BROMOETHYL)AMINO]- N-(2',3'-DIOXOPROPYL)BENZAMIDE | A,B | 1OON | 0.74 | ![]() |
NC1![]() | NITROCEFIN ACYL-SERINE | A,B | 1MWS | 0.71 | ![]() |
NC1![]() | NITROCEFIN ACYL-SERINE | A | 2UWX | 0.71 | ![]() |
MLN![]() | (S)-2-(PHOSPHONOXY)CAPROYL-L-LEUCYL- P-NITROANILIDE | A | 1BSK | 0.71 | ![]() |
MLN![]() | (S)-2-(PHOSPHONOXY)CAPROYL-L-LEUCYL- P-NITROANILIDE | A | 1BSJ | 0.71 | ![]() |
RA4![]() | N-(4-NITROBENZOYL)-L-LEUCYL-N-(4- {[AMINO(IMINO)METHYL]AMINO}BUTYL)- L-PROLINAMIDE | H,I | 1YPM | 0.74 | ![]() |
S2D![]() | N-BENZOYL-D-ALANINE | A,B | 2JCI | 0.75 | ![]() |
CRI![]() | A,B | 1VKG | 0.71 | ![]() | |
PPN![]() | PARA-NITROPHENYLALANINE | I | 1YTJ | 0.73 | ![]() |
GTB![]() | S-(P-NITROBENZYL)GLUTATHIONE | A,B | 2OAD | 0.72 | ![]() |
GTB![]() | S-(P-NITROBENZYL)GLUTATHIONE | A,B,C,D,E,F | 1GTI | 0.72 | ![]() |
GTB![]() | S-(P-NITROBENZYL)GLUTATHIONE | A,B | 2OAC | 0.72 | ![]() |
GTB![]() | S-(P-NITROBENZYL)GLUTATHIONE | A,B | 1GLQ | 0.72 | ![]() |
GTB![]() | S-(P-NITROBENZYL)GLUTATHIONE | B,D | 2QMC | 0.72 | ![]() |
GTB![]() | S-(P-NITROBENZYL)GLUTATHIONE | A,B | 2VO4 | 0.72 | ![]() |
GTB![]() | S-(P-NITROBENZYL)GLUTATHIONE | A,B,C,D | 1K0C | 0.72 | ![]() |
SN2![]() | 5-[BIS-2(CHLORO-ETHYL)-AMINO]-2,4- DINTRO-BENZAMIDE | A,B | 1OO6 | 0.7 | ![]() |
DBZ![]() | 3-(BENZOYLAMINO)-L-ALANINE | A,B,C,D | 1SN9 | 0.72 | ![]() |
DBZ![]() | 3-(BENZOYLAMINO)-L-ALANINE | A,B | 1SNE | 0.72 | ![]() |
DBZ![]() | 3-(BENZOYLAMINO)-L-ALANINE | A,B,C,D | 1SNA | 0.72 | ![]() |
DBZ![]() | 3-(BENZOYLAMINO)-L-ALANINE | A,B | 1XOF | 0.72 | ![]() |
PNC![]() | PARA-NITROBENZYL GLUTARYL GLYCINIC ACID | L | 1YEF | 0.8 | ![]() |
ICX![]() | methyl N-[(5Z)-6-({[4-(4-iodobenzyl)phenyl]carbonyl}amino)hex- 5-enoyl]glycinate | A,C,D,E,G,P, Q,R,W | 3CWB | 0.74 | ![]() |
01W![]() | (2S)-2-ammonio-4-[(2,4-dinitrophenyl)amino]butanoate | A,B | 3DS9 | 0.72 | ![]() |
B3N![]() | 4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE- N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE | A,B | 3F06 | 0.74 | ![]() |
B3N![]() | 4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE- N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE | A,B | 3EZP | 0.74 | ![]() |
B3N![]() | 4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE- N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE | A | 3EW8 | 0.74 | ![]() |
B3N![]() | 4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE- N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE | A,B | 3EZT | 0.74 | ![]() |
B3N![]() | 4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE- N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE | A | 1T67 | 0.74 | ![]() |