Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00644855
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 |
EBW | 4-(5-{4-[DIMETHYL(PROP-2-ENYL)AMMONIO]PHENYL}- 3-OXOPENTYL)-N,N-DIMETHYL-N-PROP- 2-ENYLBENZENAMINIUM | A | 1E3Q | 0.73 |  |
NP2 | N-(3-AMINOPROPYL)-2-NITROBENZENAMINE | A | 1WUM | 0.73 | |
UN6 | (3-{[3-(3-SULFOAMINO-PHENYL)-PROPIONYLAMINO]- METHYL}-PHENYL)-SULFAMIC ACID | A | 2F70 | 0.74 | |
NP1 | N-(3-AMINOPROPYL)-4-METHYL-2-NITROBENZENAMINE | A | 1WUG | 0.74 | |
CB1 | 5-(AZIRIDIN-1-YL)-2,4-DINITROBENZAMIDE | A,B | 1XI2 | 0.7 | |
| CB1 | 5-(AZIRIDIN-1-YL)-2,4-DINITROBENZAMIDE | A,B | 1ZX1 | 0.7 | |
| CB1 | 5-(AZIRIDIN-1-YL)-2,4-DINITROBENZAMIDE | A,B | 1IDT | 0.7 | |
| CB1 | 5-(AZIRIDIN-1-YL)-2,4-DINITROBENZAMIDE | A,B | 2BZS | 0.7 | |
BL5 | A,B | 1RL4 | 0.71 | | |
GEP | N-METHYL-N-(PARA-GLUTARAMIDOPHENYL- ETHYL)-PIPERIDINIUM ION | L | 25C8 | 0.7 | |
GW9 | 2-chloro-5-nitro-N-phenylbenzamide | A,D | 3E00 | 0.78 | |
G1L | 3-CHLORO-2,2-DIMETHYL-N-[4-(TRIFLUOROMETHYL)PHENYL]PROPANAMIDE | A,B | 2I80 | 0.7 | |
CRI | A,B | 1VKG | 0.74 | | |
01W | (2S)-2-ammonio-4-[(2,4-dinitrophenyl)amino]butanoate | A,B | 3DS9 | 0.71 | |
HFT | HYDROXYFLUTAMIDE | A | 2AX6 | 0.75 | |
SPB | 4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACID | B,H | 1UB5 | 0.73 | |
| SPB | 4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACID | A,B,H,L | 3CFB | 0.73 | |
| SPB | 4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACID | B,H | 3CFD | 0.73 | |
| SPB | 4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACID | A,L | 1FL3 | 0.73 | |
NOX | N-(PARA-GLUTARAMIDOPHENYL-ETHYL)- PIPERIDINIUM-N-OXIDE | L | 35C8 | 0.73 | |
566 | (3S)-1-CYCLOHEXYL-5-OXO-N-PHENYLPYRROLIDINE- 3-CARBOXAMIDE | A | 2H7I | 0.76 | |
SHH | OCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDE | A | 1C3S | 0.86 | |
| SHH | OCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDE | A,B,C | 3C0Z | 0.86 | |
| SHH | OCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDE | A | 1T69 | 0.86 | |
| SHH | OCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDE | A,B,C,D | 1ZZ1 | 0.86 | |
PNC | PARA-NITROBENZYL GLUTARYL GLYCINIC ACID | L | 1YEF | 0.75 | |
CF3 | 9,9,9-TRIFLUORO-8-OXO-N-PHENYLNONANAMIDE | A,B,C,D | 2GH6 | 0.78 | |
IAP | 4-IODO-ACETAMIDO PHENYLBORONIC ACID | A | 1S6R | 0.73 | |
| IAP | 4-IODO-ACETAMIDO PHENYLBORONIC ACID | A,B | 1K6S | 0.73 | |
IXM | (Z)-1H,1'H-[2,3']BIINDOLYLIDENE- 3,2'-DIONE-3-OXIME | A,B | 1Q41 | 0.73 | |
| IXM | (Z)-1H,1'H-[2,3']BIINDOLYLIDENE- 3,2'-DIONE-3-OXIME | A,B | 1UNH | 0.73 | |
| IXM | (Z)-1H,1'H-[2,3']BIINDOLYLIDENE- 3,2'-DIONE-3-OXIME | A | 2QKR | 0.73 | |
SU2 | 3-[4-(1-FORMYLPIPERAZIN-4-YL)-BENZYLIDENYL]- 2-INDOLINONE | A,B | 1AGW | 0.72 | |
PPN | PARA-NITROPHENYLALANINE | I | 1YTJ | 0.7 | |
B3N | 4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE- N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE | A,B | 3F06 | 0.7 | |
| B3N | 4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE- N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE | A,B | 3EZP | 0.7 | |
| B3N | 4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE- N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE | A | 3EW8 | 0.7 | |
| B3N | 4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE- N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE | A,B | 3EZT | 0.7 | |
| B3N | 4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE- N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE | A | 1T67 | 0.7 | |
NPP | N-(2-AMINO-ETHYL)-4,6-DINITRO-N'- (2,2,6,6-TETRAMETHYL-1-OXY-PIPERIDIN- 4-YL)-BENZENE-1,3-DIAMINE | L | 1BAF | 0.72 | |
BOS | N-[4-(AMINOSULFONYL)PHENYL]-2-MERCAPTOBENZAMIDE | A | 2HD6 | 0.71 | |
SN8 | 1,6-DIMETHYL-4-(4-(4-(1-METHYLPYRIDINIUM- 4-YLAMINO)PHENYLCARBAMOYL)PHENYLAMINO)QUINOLINIUM | A,B | 1ZPH | 0.7 | |
HYQ | REL-(3AR,4S,7R,7AS)-3A,4,7,7A-TETRAHYDRO- 2-(4-NITRO-1-NAPHTHALENYL)-4,7- ETHANO-1H-ISOINDOLE-1,3(2H)-DIONE | A | 1XNN | 0.73 | |
BHM | (R)-3-BROMO-2-HYDROXY-2-METHYL- N-[4-NITRO-3-(TRIFLUOROMETHYL)PHENYL]PROPANAMIDE | A | 2AX9 | 0.73 | |
PHJ | N-[(AMINOOXY)CARBONYL]-N-PHENYLAMINE | A,B | 1UR9 | 0.7 | |
TSN | TRICHOSTATIN A | A,B | 1T64 | 0.75 | |
| TSN | TRICHOSTATIN A | A,B | 1C3R | 0.75 | |
| TSN | TRICHOSTATIN A | A,B,C | 3F0R | 0.75 | |
| TSN | TRICHOSTATIN A | A,B,C | 3C10 | 0.75 | |
P1Z | 4-BUTYL-1,2-DIPHENYL-PYRAZOLIDINE- 3,5-DIONE | A,B | 2W98 | 0.75 | |
| P1Z | 4-BUTYL-1,2-DIPHENYL-PYRAZOLIDINE- 3,5-DIONE | A,B | 2BXC | 0.75 | |
| P1Z | 4-BUTYL-1,2-DIPHENYL-PYRAZOLIDINE- 3,5-DIONE | A | 2BXP | 0.75 | |
| P1Z | 4-BUTYL-1,2-DIPHENYL-PYRAZOLIDINE- 3,5-DIONE | A | 2BXQ | 0.75 | |
AFF | 2-ACETYLAMINOFLUORENE-3-YL | A | 2GE2 | 0.73 | |
TNS | A,B,L | 2G2R | 0.72 | | |
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 | |
EOB | {1,3-PHENYLENEBIS[IMINO(2-OXOETHANE- 2,1-DIYL)]}BIS(PHOSPHONIC ACID) | A,B,C,D | 2FZG | 0.72 | |
OCH | QUINOLIN-2(1H)-ONE | A,B,C,D,E,F | 1Z03 | 0.72 | |
BAN | HONH-BENZYLMALONYL-L-ALANYLGLYCINE- P-NITROANILIDE | A | 5TLN | 0.82 | |