Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00057229
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 |
TNS | A,B,L | 2G2R | 0.71 | ||
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 | 0.79 | |
DSM | 3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN- 5-YL)-N-METHYLPROPAN-1-AMINE | A | 2QJU | 0.74 | |
DSM | 3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN- 5-YL)-N-METHYLPROPAN-1-AMINE | A | 2QB4 | 0.74 | |
DBP | 1,3-DIAMINOBENZYL PHENYLALANINE | A | 1A85 | 0.77 | |
TPM | 2-(4-AMINOBENZYLAMINO)-3,4,5,6- TETRAHYDROPYRIDINIUM | J,K,L | 1F3D | 0.73 | |
BAN | HONH-BENZYLMALONYL-L-ALANYLGLYCINE- P-NITROANILIDE | A | 5TLN | 0.72 | |
AU4 | 4,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE) | A | 2PYZ | 0.73 | |
150 | 4,5-DIMETHYL-1,2-PHENYLENEDIAMINE | A | 1L4F | 0.7 | |
HNT | [(3R)-7-NITRO-1,2,3,4-TETRAHYDROISOQUINOLIN- 3-YL]METHANOL | A,B | 2G70 | 0.79 | |
PNZ | P-NITRO-BENZYLAMINE | A,D,H | 2HJ4 | 0.84 | |
PNZ | P-NITRO-BENZYLAMINE | A,B | 2C70 | 0.84 | |
PNQ | P-NITROPHENYL AMINOETHYLDIPHOSPHATE BERYLLIUM TRIFLUORIDE | A | 1D0Z | 0.71 | |
XYD | 2,5-DIMETHYLANILINE | A,B,C,D | 1KYA | 0.72 | |
XYD | 2,5-DIMETHYLANILINE | A | 1L4L | 0.72 | |
NBZ | NITROBENZENE | A,B | 2BMQ | 0.71 | |
NBZ | NITROBENZENE | A,B | 3BGU | 0.71 | |
UFO | 1-(1,4-dimethyl-1,2,3,4-tetrahydroquinoxalin- 6-yl)methanamine | A,B,D | 3GQT | 0.79 | |
4NM | 4-NITROPHENYL METHANETHIOL | A,B | 2VO4 | 0.73 | |
PNC | PARA-NITROBENZYL GLUTARYL GLYCINIC ACID | L | 1YEF | 0.75 | |
3NT | 3-NITROTOLUENE | A,B | 2BMR | 0.78 | |
3NT | 3-NITROTOLUENE | A,B | 2HMO | 0.78 | |
PRY | 2-PROPYL-ANILINE | A | 1OWY | 0.71 | |
NYL | N-ALLYL-ANILINE | A | 1OVK | 0.73 | |
264 | (phenylamino)acetonitrile | A | 2RBN | 0.73 | |
HFT | HYDROXYFLUTAMIDE | A | 2AX6 | 0.71 | |
3CZ | (2R)-1-[(4-tert-butylphenyl)sulfonyl]- 2-methyl-4-(4-nitrophenyl)piperazine | A,B | 3CZR | 0.73 | |
NP2 | N-(3-AMINOPROPYL)-2-NITROBENZENAMINE | A | 1WUM | 0.82 | |
IDM | INDOLINE | A,B | 3CEP | 0.74 | |
IDM | INDOLINE | A | 1AEK | 0.74 | |
AAH | H | 1KEL | 0.7 | ||
AAH | B,H | 1FL6 | 0.7 | ||
DOF | (S)-2-(4-NITROBENZYL)-1,4,7,10- TETRAAZACYCLODODECANE-N,N',N'',N'''- TETRAACETATE | A,B,C,D | 1NC4 | 0.74 | |
ONP | O-NITROPHENYL AMINOETHYLDIPHOSPHATE BERYLLIUM TRIFLUORIDE | A | 1D0Y | 0.71 | |
TNL | 2,4,6-TRINITROTOLUENE | A | 1GVR | 0.73 | |
NIT | 4-NITROANILINE | C,D | 1RMH | 0.75 | |
NIT | 4-NITROANILINE | A,B,D,F,G,H,I | 2IXP | 0.75 | |
NIT | 4-NITROANILINE | B | 1VBS | 0.75 | |
NIT | 4-NITROANILINE | C | 1V9T | 0.75 | |
NIT | 4-NITROANILINE | C,D | 1VBT | 0.75 | |
NIT | 4-NITROANILINE | B | 1LOP | 0.75 | |
NIT | 4-NITROANILINE | C,D | 1ZKF | 0.75 | |
NIT | 4-NITROANILINE | B | 1PIP | 0.75 | |
34A | 3,4-DIMETHYLANILINE | A | 1L4K | 0.71 | |
NP1 | N-(3-AMINOPROPYL)-4-METHYL-2-NITROBENZENAMINE | A | 1WUG | 0.88 |