Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00042523
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 |
537 | 2,6-DIHYDROANTHRA/1,9-CD/PYRAZOL- 6-ONE | A | 1UKI | 0.7 | |
537 | 2,6-DIHYDROANTHRA/1,9-CD/PYRAZOL- 6-ONE | A | 1PMV | 0.7 | |
537 | 2,6-DIHYDROANTHRA/1,9-CD/PYRAZOL- 6-ONE | A | 2ZMD | 0.7 | |
DCU | A,B | 1J07 | 0.7 | ||
5NI | 5-NITROINDAZOLE | A,B | 1M8I | 0.7 | |
5NI | 5-NITROINDAZOLE | A,B | 1M9Q | 0.7 | |
LL1 | 3-pyridin-4-yl-1H-indazole | A | 3DNE | 0.72 | |
GVG | 3-METHYL-4-PHENYL-1H-PYRAZOLE | A | 2UW3 | 0.74 | |
BRN | BERENIL | A,B | 268D | 0.71 | |
BRN | BERENIL | A,B | 1D63 | 0.71 | |
BRN | BERENIL | A,D,E | 2GBY | 0.71 | |
BRN | BERENIL | A | 2DBE | 0.71 | |
BRN | BERENIL | A | 2GVR | 0.71 | |
VC3 | 3-(4-nitrophenyl)-1H-pyrazole | A,B,C,D | 2VCZ | 0.71 | |
L15 | 2-[4-(3-METHYL-1H-PYRAZOL-4-YL)PHENYL]ETHANAMINE | A | 2UW4 | 0.74 | |
THA | TACRINE | A,B | 2AOW | 0.79 | |
THA | TACRINE | A,B,C,D,E,F | 1MX1 | 0.79 | |
THA | TACRINE | A,B | 2AOX | 0.79 | |
THA | TACRINE | A | 1ACJ | 0.79 | |
TAQ | 2,4,6-TRIAMINOQUINAZOLINE | A,B,C,D,E,F, G,H | 1W0C | 0.71 | |
MQ0 | (3-AMINOMETHYL-CINNOLIN-4-YL)-(3,3- DIPHENYL-ALLYLIDENE)-AMINE | A,B,C | 3STD | 0.82 | |
NSC | N,N'-BIS(4-AMINO-2-METHYLQUINOLIN- 6-YL)UREA | A,B | 1PWP | 0.7 | |
2AQ | QUINOLIN-2-AMINE | A | 2OHL | 0.73 | |
LZ1 | 1H-indazole | A,B | 3E6I | 0.77 | |
LZ1 | 1H-indazole | A | 2VTA | 0.77 | |
PRY | 2-PROPYL-ANILINE | A | 1OWY | 0.71 | |
L02 | 4-[3-(4-CHLOROPHENYL)-1H-PYRAZOL- 5-YL]PIPERIDINE | B,I | 1WAY | 0.72 | |
PRM | 3,8-DIAMINO-5[3-(DIETHYLMETHYLAMMONIO)PROPYL]- 6-PHENYLPHENANTHRIDINIUM | A,B | 1N5R | 0.71 | |
760 | 9-(3-PHENYLMETHYLAMINO)-1,2,3,4- TETRAHYDROACRIDINE | A | 1DX4 | 0.73 | |
F11 | N,N'-DI-1,2,3,4-TETRAHYDROACRIDIN- 9-YLPENTANE-1,5-DIAMINE | A | 2CMF | 0.7 | |
6NI | 6-NITROINDAZOLE | A,B | 1M8H | 0.71 | |
6NI | 6-NITROINDAZOLE | A,B | 1M9M | 0.71 | |
DRG | 5,6-DIHYDRO-BENZO[H]CINNOLIN-3- YLAMINE | A | 1P4F | 0.81 | |
I40 | 9-(3-IODOBENZYLAMINO)-1,2,3,4-TETRAHYDROACRIDINE | A | 1QON | 0.71 | |
DEQ | DEQUALINIUM | A,B,D,E | 1JT6 | 0.73 | |
DEQ | DEQUALINIUM | A,B,D,E | 3BR2 | 0.73 | |
DEQ | DEQUALINIUM | A | 1OYD | 0.73 | |
DEQ | DEQUALINIUM | A,B,D,E | 3BT9 | 0.73 | |
DEQ | DEQUALINIUM | A,B,D,E | 3BTJ | 0.73 | |
DEQ | DEQUALINIUM | A,B,D,E | 3BR1 | 0.73 | |
MM0 | N,N'-(dibenzo[b,j][1,7]phenanthroline- 2,10-diyldimethanediyl)dipropan- 1-amine | B | 2JWQ | 0.71 | |
5B1 | 5-bromo-1H-indazol-3-amine | A | 3E62 | 0.71 | |
A8N | N-9-(1',2',3',4'-TETRAHYDROACRIDINYL)- 1,8-DIAMINOOCTANE | A | 1UT6 | 0.73 | |
PRL | PROFLAVIN | H,I | 1BCU | 0.79 | |
PRL | PROFLAVIN | A,B,D,E | 1QVT | 0.79 | |
PRL | PROFLAVIN | A,B | 2KD4 | 0.79 | |
PRL | PROFLAVIN | A | 1QVU | 0.79 | |
5B2 | 5-phenyl-1H-indazol-3-amine | A | 3E63 | 0.76 |