Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02114376
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 |
NOW | Nalpha-[(3-tert-butyl-1-methyl- 1H-pyrazol-5-yl)carbonyl]-N-[(2Z)- 2-iminoethyl]-3-methyl-L-phenylalaninamide | A,B,C,D | 3HHA | 0.75 |  |
LZ1 | 1H-indazole | A,B | 3E6I | 0.75 | |
| LZ1 | 1H-indazole | A | 2VTA | 0.75 | |
LL1 | 3-pyridin-4-yl-1H-indazole | A | 3DNE | 0.78 | |
PY1 | 4-(3-PYRIDIN-2-YL-1H-PYRAZOL-4- YL)QUINOLINE | A | 1PY5 | 0.74 | |
5IQ | ISOQUINOLIN-5-AMINE | A,B | 2F2T | 0.71 | |
PRM | 3,8-DIAMINO-5[3-(DIETHYLMETHYLAMMONIO)PROPYL]- 6-PHENYLPHENANTHRIDINIUM | A,B | 1N5R | 0.72 | |
L02 | 4-[3-(4-CHLOROPHENYL)-1H-PYRAZOL- 5-YL]PIPERIDINE | B,I | 1WAY | 0.76 | |
2MI | 2-METHYL-1H-INDOLE | A | 2PIO | 0.72 | |
P44 | 2-(CYCLOHEXYLMETHYLAMINO)-4-(PHENYLAMINO)PYRAZOLO[1,5- A][1,3,5]TRIAZINE-8-CARBONITRILE | A | 2PVJ | 0.71 | |
CEL | 4-[5-(4-METHYLPHENYL)-3-(TRIFLUOROMETHYL)- 1H-PYRAZOL-1-YL]BENZENESULFONAMIDE | A | 1OQ5 | 0.74 | |
MQ0 | (3-AMINOMETHYL-CINNOLIN-4-YL)-(3,3- DIPHENYL-ALLYLIDENE)-AMINE | A,B,C | 3STD | 0.71 | |
CVI | CRYSTAL VIOLET | A,B,D,E | 1JTX | 0.71 | |
5DE | 1-(4-AMINOPHENYL)-3,5-DIMETHYL- 1H-PYRAZOLE-4-CARBOXYLIC ACID ETHYL ESTER | A,B | 1Y2E | 0.72 | |
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 | |
FRZ | 5-(2-PHENYLPYRAZOLO[1,5-A]PYRIDIN- 3-YL)-1H-PYRAZOLO[3,4-C]PYRIDAZIN- 3-AMINE | A | 1TVO | 0.74 | |
R20 | 4-(3-METHYLPHENYL)-1H-1,2,3-TRIAZOLE | A | 2ADU | 0.71 | |
PRL | PROFLAVIN | H,I | 1BCU | 0.72 | |
| PRL | PROFLAVIN | A,B,D,E | 1QVT | 0.72 | |
| PRL | PROFLAVIN | A,B | 2KD4 | 0.72 | |
| PRL | PROFLAVIN | A | 1QVU | 0.72 | |
MGR | MALACHITE GREEN | A,B | 3BQZ | 0.71 | |
| MGR | MALACHITE GREEN | A | 1Q8N | 0.71 | |
| MGR | MALACHITE GREEN | A,B | 3BR0 | 0.71 | |
| MGR | MALACHITE GREEN | A,D,E | 3BTL | 0.71 | |
| MGR | MALACHITE GREEN | A,B,D,E | 3BTC | 0.71 | |
| MGR | MALACHITE GREEN | A,B,D,E | 1JUP | 0.71 | |
D26 | PHENYL-5-(1H-PYRAZOL-3-YL)-1,3- THIAZOLE | A,B,C,D | 2VCX | 0.72 | |
L15 | 2-[4-(3-METHYL-1H-PYRAZOL-4-YL)PHENYL]ETHANAMINE | A | 2UW4 | 0.77 | |
582 | 5-ETHYL-3-METHYL-1,5-DIHYDRO-4H- PYRAZOLO[4,3-C]QUINOLIN-4-ONE | A | 2QHN | 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 | |
580 | 3-(4-FLUOROPHENYL)-2-(6-METHYLPYRIDIN- 2-YL)-5,6-DIHYDRO-4H-PYRROLO[1,2- B]PYRAZOLE | A | 1RW8 | 0.8 | |
DCU | A,B | 1J07 | 0.71 | | |
F11 | N,N'-DI-1,2,3,4-TETRAHYDROACRIDIN- 9-YLPENTANE-1,5-DIAMINE | A | 2CMF | 0.7 | |
VGG | 1-tert-butyl-3-(3-methylbenzyl)- 1H-pyrazolo[3,4-d]pyrimidin-4-amine | A | 2WEI | 0.71 | |
I40 | 9-(3-IODOBENZYLAMINO)-1,2,3,4-TETRAHYDROACRIDINE | A | 1QON | 0.71 | |
GG5 | 4-[3-(4-FLUOROPHENYL)-1H-PYRAZOL- 4-YL]PYRIDINE | A | 3HVC | 0.78 | |
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 | |
P83 | 1-(9-ethyl-9H-carbazol-3-yl)-N- methylmethanamine | A,B | 2VUK | 0.71 | |
THA | TACRINE | A,B | 2AOW | 0.73 | |
| THA | TACRINE | A,B,C,D,E,F | 1MX1 | 0.73 | |
| THA | TACRINE | A,B | 2AOX | 0.73 | |
| THA | TACRINE | A | 1ACJ | 0.73 | |
1AW | 1-[1-(3-aminophenyl)-3-tert-butyl- 1H-pyrazol-5-yl]-3-phenylurea | A,B | 3F3U | 0.72 | |
GVG | 3-METHYL-4-PHENYL-1H-PYRAZOLE | A | 2UW3 | 0.76 | |
NCT | (S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE | A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P,Q,R, S,T | 1UW6 | 0.72 | |
| NCT | (S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE | A | 1P2Y | 0.72 | |
| NCT | (S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE | A | 1P7R | 0.72 | |
BMU | 1-(5-TERT-BUTYL-2-METHYL-2H-PYRAZOL- 3-YL)-3-(4-CHLORO-PHENYL)-UREA | A | 1KV1 | 0.73 | |
F29 | 1-ALLYL-5-(2-PHENYLPYRAZOLO[1,5- A]PYRIDIN-3-YL)-1H-PYRAZOLO[3,4- C]PYRIDAZIN-3-AMINE | A | 1WZY | 0.75 | |
1AU | 1-[1-(3-aminophenyl)-3-tert-butyl- 1H-pyrazol-5-yl]-3-naphthalen-1- ylurea | A | 3F3T | 0.71 | |
VC3 | 3-(4-nitrophenyl)-1H-pyrazole | A,B,C,D | 2VCZ | 0.73 | |
LIG | 3-PYRIDIN-4-YL-2,4-DIHYDRO-INDENO[1,2- .C.]PYRAZOLE | P | 1JVP | 0.76 | |
A8N | N-9-(1',2',3',4'-TETRAHYDROACRIDINYL)- 1,8-DIAMINOOCTANE | A | 1UT6 | 0.73 | |
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 | |
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 | |
11X | N-(pyridin-3-ylmethyl)aniline | A | 3EJ0 | 0.72 | |
760 | 9-(3-PHENYLMETHYLAMINO)-1,2,3,4- TETRAHYDROACRIDINE | A | 1DX4 | 0.72 | |
UN3 | (2-METHYL-5-PHENYL-2H-PYRAZOL-3- YL)-SULFAMIC ACID | A | 2F6W | 0.82 | |
IDM | INDOLINE | A,B | 3CEP | 0.72 | |
| IDM | INDOLINE | A | 1AEK | 0.72 | |