Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01348049
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 |
P45 | 2-(4-CHLOROBENZYLAMINO)-4-(PHENYLAMINO)PYRAZOLO[1,5- A][1,3,5]TRIAZINE-8-CARBONITRILE | A | 2PVK | 0.72 | |
L12 | 3-(2-PYRIDIN-4-YLETHYL)-1H-INDOLE | A | 1W84 | 0.71 | |
HYZ | N-[1-(3-fluorobenzyl)-1H-indazol- 5-yl]-5-[(piperidin-1-ylamino)methyl]pyrimidine- 4,6-diamine | A | 2RGP | 0.75 | |
CQU | N-[2-(5-methyl-4H-1,2,4-triazol- 3-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin- 4-amine | A | 3CQU | 0.71 | |
PY1 | 4-(3-PYRIDIN-2-YL-1H-PYRAZOL-4- YL)QUINOLINE | A | 1PY5 | 0.74 | |
L0D | 2-(1H-pyrazol-3-yl)-1H-benzimidazole | A | 2W1D | 0.72 | |
6NI | 6-NITROINDAZOLE | A,B | 1M8H | 0.78 | |
6NI | 6-NITROINDAZOLE | A,B | 1M9M | 0.78 | |
FRZ | 5-(2-PHENYLPYRAZOLO[1,5-A]PYRIDIN- 3-YL)-1H-PYRAZOLO[3,4-C]PYRIDAZIN- 3-AMINE | A | 1TVO | 0.7 | |
DZO | 3-(3-aminophenyl)-N-(3-chlorophenyl)pyrazolo[1,5- a]pyrimidin-5-amine | A | 3E7V | 0.71 | |
L0F | N-[3-(1H-BENZIMIDAZOL-2-YL)-1H- PYRAZOL-4-YL]BENZAMIDE | A | 2W1F | 0.7 | |
5B2 | 5-phenyl-1H-indazol-3-amine | A | 3E63 | 0.75 | |
POX | 4-amino-6-{[1-(3-fluorobenzyl)- 1H-indazol-5-yl]amino}pyrimidine- 5-carbaldehyde O-(2-methoxyethyl)oxime | A | 3BEL | 0.7 | |
QPP | N-(5-METHYL-1H-PYRAZOL-3-YL)-2- PHENYLQUINAZOLIN-4-AMINE | A,C | 2JC6 | 0.72 | |
SBC | 1-[4-(AMINOSULFONYL)PHENYL]-1,6- DIHYDROPYRAZOLO[3,4-E]INDAZOLE- 3-CARBOXAMIDE | A,C,D | 2BKZ | 0.71 | |
TSH | 2-(1H-INDOL-3-YL)ETHANIMINE | D,H | 2AGY | 0.71 | |
TSH | 2-(1H-INDOL-3-YL)ETHANIMINE | D,H | 2AH0 | 0.71 | |
TSH | 2-(1H-INDOL-3-YL)ETHANIMINE | D,H | 2AGX | 0.71 | |
P63 | N-(3-(8-CYANO-4-(PHENYLAMINO)PYRAZOLO[1,5- A][1,3,5]TRIAZIN-2-YLAMINO)PHENYL)ACETAMIDE | A | 2PVN | 0.71 | |
5NI | 5-NITROINDAZOLE | A,B | 1M8I | 0.75 | |
5NI | 5-NITROINDAZOLE | A,B | 1M9Q | 0.75 | |
7I2 | 7-NITROINDAZOLE-2-CARBOXAMIDINE | A,B | 1FOJ | 0.72 | |
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 | |
2PT | 1-[2-(ACRIDIN-9-YLAMINO)ETHYL]- 1,3-DIMETHYLTHIOUREA-PLATINUM(II)- ETHANE-1,2-DIAMINE | B | 1XRW | 0.7 | |
422 | 3-(5-{[4-(AMINOMETHYL)PIPERIDIN- 1-YL]METHYL}-1H-INDOL-2-YL)-1H- INDAZOLE-6-CARBONITRILE | A | 2HXL | 0.7 | |
IND | INDOLE | A | 1L4H | 0.7 | |
IND | INDOLE | A,B,G | 1O7N | 0.7 | |
IND | INDOLE | A | 185L | 0.7 | |
IND | INDOLE | A,B | 1EG9 | 0.7 | |
IND | INDOLE | A,B | 1UUV | 0.7 | |
IND | INDOLE | A,C,E | 2B24 | 0.7 | |
IND | INDOLE | A,B,C,D,E,F | 2P85 | 0.7 | |
6IP | 6-[2-(1H-INDOL-6-YL)ETHYL]PYRIDIN- 2-AMINE | A | 2OHP | 0.7 | |
LZ9 | {[(2,6-difluorophenyl)carbonyl]amino}- N-(4-fluorophenyl)-1H-pyrazole- 3-carboxamide | A | 2VTP | 0.7 | |
SCF | 5-(2-fluorophenyl)-N-(pyridin-4- ylmethyl)pyrazolo[1,5-a]pyrimidin- 7-amine | A | 2R3I | 0.7 | |
LZ1 | 1H-indazole | A,B | 3E6I | 0.82 | |
LZ1 | 1H-indazole | A | 2VTA | 0.82 | |
5BP | N-cyclopropyl-4-pyrazolo[1,5-b]pyridazin- 3-ylpyrimidin-2-amine | A,C | 3EJ1 | 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 | |
2FR | 3-[3-(3-methyl-6-{[(1S)-1-phenylethyl]amino}- 1H-pyrazolo[4,3-c]pyridin-1-yl)phenyl]propanamide | A | 3DBC | 0.72 | |
LL1 | 3-pyridin-4-yl-1H-indazole | A | 3DNE | 0.79 | |
IDZ | 3-(1H-BENZIMIDAZOL-2-YL)-1H-INDAZOLE | A | 2C3L | 0.73 | |
L15 | 2-[4-(3-METHYL-1H-PYRAZOL-4-YL)PHENYL]ETHANAMINE | A | 2UW4 | 0.76 | |
P19 | N,N'-DIPHENYLPYRAZOLO[1,5-A][1,3,5]TRIAZINE- 2,4-DIAMINE | A | 2PVH | 0.75 | |
VC3 | 3-(4-nitrophenyl)-1H-pyrazole | A,B,C,D | 2VCZ | 0.74 | |
D26 | PHENYL-5-(1H-PYRAZOL-3-YL)-1,3- THIAZOLE | A,B,C,D | 2VCX | 0.71 | |
GVG | 3-METHYL-4-PHENYL-1H-PYRAZOLE | A | 2UW3 | 0.76 | |
LIG | 3-PYRIDIN-4-YL-2,4-DIHYDRO-INDENO[1,2- .C.]PYRAZOLE | P | 1JVP | 0.71 | |
L0H | N-[3-(1H-BENZIMIDAZOL-2-YL)-1H- PYRAZOL-4-YL]BENZAMIDE | A | 2W1H | 0.7 | |
P44 | 2-(CYCLOHEXYLMETHYLAMINO)-4-(PHENYLAMINO)PYRAZOLO[1,5- A][1,3,5]TRIAZINE-8-CARBONITRILE | A | 2PVJ | 0.75 | |
R20 | 4-(3-METHYLPHENYL)-1H-1,2,3-TRIAZOLE | A | 2ADU | 0.7 | |
TSS | 2-(1H-INDOL-3-YL)ETHANAMINE | A,B,D,H | 2IUQ | 0.71 | |
TSS | 2-(1H-INDOL-3-YL)ETHANAMINE | A,B | 2FPB | 0.71 | |
TSS | 2-(1H-INDOL-3-YL)ETHANAMINE | D,H | 2AGW | 0.71 | |
TSS | 2-(1H-INDOL-3-YL)ETHANAMINE | A | 2PQL | 0.71 | |
GG5 | 4-[3-(4-FLUOROPHENYL)-1H-PYRAZOL- 4-YL]PYRIDINE | A | 3HVC | 0.73 | |
QIG | N-1H-indazol-5-yl-2-(6-methylpyridin- 2-yl)quinazolin-4-amine | A | 3GXL | 0.76 |