Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02643232
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 |
QIG | N-1H-indazol-5-yl-2-(6-methylpyridin- 2-yl)quinazolin-4-amine | A | 3GXL | 0.74 |  |
HYZ | N-[1-(3-fluorobenzyl)-1H-indazol- 5-yl]-5-[(piperidin-1-ylamino)methyl]pyrimidine- 4,6-diamine | A | 2RGP | 0.73 | |
6IP | 6-[2-(1H-INDOL-6-YL)ETHYL]PYRIDIN- 2-AMINE | A | 2OHP | 0.71 | |
FRZ | 5-(2-PHENYLPYRAZOLO[1,5-A]PYRIDIN- 3-YL)-1H-PYRAZOLO[3,4-C]PYRIDAZIN- 3-AMINE | A | 1TVO | 0.72 | |
L02 | 4-[3-(4-CHLOROPHENYL)-1H-PYRAZOL- 5-YL]PIPERIDINE | B,I | 1WAY | 0.71 | |
TSS | 2-(1H-INDOL-3-YL)ETHANAMINE | A,B,D,H | 2IUQ | 0.75 | |
| TSS | 2-(1H-INDOL-3-YL)ETHANAMINE | A,B | 2FPB | 0.75 | |
| TSS | 2-(1H-INDOL-3-YL)ETHANAMINE | D,H | 2AGW | 0.75 | |
| TSS | 2-(1H-INDOL-3-YL)ETHANAMINE | A | 2PQL | 0.75 | |
DZO | 3-(3-aminophenyl)-N-(3-chlorophenyl)pyrazolo[1,5- a]pyrimidin-5-amine | A | 3E7V | 0.71 | |
IND | INDOLE | A | 1L4H | 0.73 | |
| IND | INDOLE | A,B,G | 1O7N | 0.73 | |
| IND | INDOLE | A | 185L | 0.73 | |
| IND | INDOLE | A,B | 1EG9 | 0.73 | |
| IND | INDOLE | A,B | 1UUV | 0.73 | |
| IND | INDOLE | A,C,E | 2B24 | 0.73 | |
| IND | INDOLE | A,B,C,D,E,F | 2P85 | 0.73 | |
A8N | N-9-(1',2',3',4'-TETRAHYDROACRIDINYL)- 1,8-DIAMINOOCTANE | A | 1UT6 | 0.71 | |
23M | 2-(3-METHYLPHENYL)-1H-INDOLE-5- CARBOXIMIDAMIDE | A | 2G5N | 0.71 | |
DAP | 6-AMIDINE-2-(4-AMIDINO-PHENYL)INDOLE | A | 1D30 | 0.72 | |
| DAP | 6-AMIDINE-2-(4-AMIDINO-PHENYL)INDOLE | A | 432D | 0.72 | |
L15 | 2-[4-(3-METHYL-1H-PYRAZOL-4-YL)PHENYL]ETHANAMINE | A | 2UW4 | 0.78 | |
GVP | 4-(4-CHLOROPHENYL)-4-[4-(1H-PYRAZOL- 4-YL)PHENYL]PIPERIDINE | A | 2UW9 | 0.73 | |
| GVP | 4-(4-CHLOROPHENYL)-4-[4-(1H-PYRAZOL- 4-YL)PHENYL]PIPERIDINE | A | 2UW7 | 0.73 | |
306 | 3-[5-(PIPERIDIN-1-YLMETHYL)-1H- INDOL-2-YL]-6-(1H-PYRAZOL-4-YL)QUINOLIN- 2(1H)-ONE | A | 2HY0 | 0.75 | |
537 | 2,6-DIHYDROANTHRA/1,9-CD/PYRAZOL- 6-ONE | A | 1UKI | 0.75 | |
| 537 | 2,6-DIHYDROANTHRA/1,9-CD/PYRAZOL- 6-ONE | A | 1PMV | 0.75 | |
| 537 | 2,6-DIHYDROANTHRA/1,9-CD/PYRAZOL- 6-ONE | A | 2ZMD | 0.75 | |
760 | 9-(3-PHENYLMETHYLAMINO)-1,2,3,4- TETRAHYDROACRIDINE | A | 1DX4 | 0.71 | |
GVO | (2S)-2-(4-CHLOROPHENYL)-2-[4-(1H- PYRAZOL-4-YL)PHENYL]ETHANAMINE | A | 2UW6 | 0.7 | |
6NP | 6((S)-3-BENZYLPIPERAZIN-1-YL)-3- (NAPHTHALEN-2-YL)-4-(PYRIDIN-4- YL)PYRAZINE | A | 1YQJ | 0.7 | |
6NI | 6-NITROINDAZOLE | A,B | 1M8H | 0.74 | |
| 6NI | 6-NITROINDAZOLE | A,B | 1M9M | 0.74 | |
EZV | 4-{3-[7-(4-methylpiperazin-1-yl)- 1H-benzimidazol-2-yl]-1H-indazol- 6-yl}aniline | A,C,D | 3F5X | 0.71 | |
| EZV | 4-{3-[7-(4-methylpiperazin-1-yl)- 1H-benzimidazol-2-yl]-1H-indazol- 6-yl}aniline | A | 3EZV | 0.71 | |
IP6 | N~3~-[3-(1H-INDOL-6-YL)BENZYL]PYRIDINE- 2,3-DIAMINE | A | 2OHT | 0.72 | |
422 | 3-(5-{[4-(AMINOMETHYL)PIPERIDIN- 1-YL]METHYL}-1H-INDOL-2-YL)-1H- INDAZOLE-6-CARBONITRILE | A | 2HXL | 0.78 | |
TZ4 | 3,8-DIAMINO-6-PHENYL-5-[6-[1-[2- [(1,2,3,4-TETRAHYDRO-9-ACRIDINYL)AMINO]ETHYL]- 1H-1,2,3-TRIAZOL-4-YL]HEXYL]-PHENANTHRIDINIUM | A,B | 1Q84 | 0.73 | |
TSH | 2-(1H-INDOL-3-YL)ETHANIMINE | D,H | 2AGY | 0.75 | |
| TSH | 2-(1H-INDOL-3-YL)ETHANIMINE | D,H | 2AH0 | 0.75 | |
| TSH | 2-(1H-INDOL-3-YL)ETHANIMINE | D,H | 2AGX | 0.75 | |
GG5 | 4-[3-(4-FLUOROPHENYL)-1H-PYRAZOL- 4-YL]PYRIDINE | A | 3HVC | 0.77 | |
047 | 1-CYCLOHEXYL-N-{[1-(4-METHYLPHENYL)- 1H-INDOL-3-YL]METHYL}METHANAMINE | A,B | 2PJL | 0.76 | |
LZ1 | 1H-indazole | A,B | 3E6I | 0.8 | |
| LZ1 | 1H-indazole | A | 2VTA | 0.8 | |
VC3 | 3-(4-nitrophenyl)-1H-pyrazole | A,B,C,D | 2VCZ | 0.72 | |
5NI | 5-NITROINDAZOLE | A,B | 1M8I | 0.76 | |
| 5NI | 5-NITROINDAZOLE | A,B | 1M9Q | 0.76 | |
9CA | 9H-CARBAZOLE | A,B,C,D,E,F | 2DE7 | 0.71 | |
MI2 | 2-(2-METHYLPHENYL)-1H-INDOLE-5- CARBOXIMIDAMIDE | A | 2G8T | 0.72 | |
7NI | 7-NITROINDAZOLE | A,B | 1M8E | 0.72 | |
| 7NI | 7-NITROINDAZOLE | A,B | 1FOJ | 0.72 | |
| 7NI | 7-NITROINDAZOLE | A,B | 1M9K | 0.72 | |
P44 | 2-(CYCLOHEXYLMETHYLAMINO)-4-(PHENYLAMINO)PYRAZOLO[1,5- A][1,3,5]TRIAZINE-8-CARBONITRILE | A | 2PVJ | 0.7 | |
L12 | 3-(2-PYRIDIN-4-YLETHYL)-1H-INDOLE | A | 1W84 | 0.75 | |
PY1 | 4-(3-PYRIDIN-2-YL-1H-PYRAZOL-4- YL)QUINOLINE | A | 1PY5 | 0.79 | |
P83 | 1-(9-ethyl-9H-carbazol-3-yl)-N- methylmethanamine | A,B | 2VUK | 0.71 | |
292 | N-(3-CYCLOPROPYL-1H-PYRAZOL-5-YL)- 2-(2-NAPHTHYL)ACETAMIDE | A,C,D | 1VYW | 0.7 | |
GVN | (2R)-2-(4-CHLOROPHENYL)-2-[4-(1H- PYRAZOL-4-YL)PHENYL]ETHANAMINE | A | 2UW5 | 0.7 | |
GVG | 3-METHYL-4-PHENYL-1H-PYRAZOLE | A | 2UW3 | 0.76 | |
MQ0 | (3-AMINOMETHYL-CINNOLIN-4-YL)-(3,3- DIPHENYL-ALLYLIDENE)-AMINE | A,B,C | 3STD | 0.73 | |
LL1 | 3-pyridin-4-yl-1H-indazole | A | 3DNE | 0.82 | |
LIG | 3-PYRIDIN-4-YL-2,4-DIHYDRO-INDENO[1,2- .C.]PYRAZOLE | P | 1JVP | 0.76 | |
R20 | 4-(3-METHYLPHENYL)-1H-1,2,3-TRIAZOLE | A | 2ADU | 0.7 | |
SM5 | (1E)-5-(1-piperidin-4-yl-3-pyridin- 4-yl-1H-pyrazol-4-yl)-2,3-dihydro- 1H-inden-1-one oxime | A,B | 3D4Q | 0.75 | |
TZ5 | 3,8-DIAMINO-6-PHENYL-5-[6-[1-[2- [(1,2,3,4-TETRAHYDRO-9-ACRIDINYL)AMINO]ETHYL]- 1H-1,2,3-TRIAZOL-5-YL]HEXYL]-PHENANTHRIDINIUM | A,B | 1Q83 | 0.74 | |
22M | 2-(2-METHYLPHENYL)-1H-INDOLE-6- CARBOXIMIDAMIDE | A | 2G5V | 0.73 | |
5B2 | 5-phenyl-1H-indazol-3-amine | A | 3E63 | 0.76 | |