Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00598045
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 |
MIB![]() | (3E)-4-(1-METHYL-1H-INDOL-3-YL)BUT- 3-EN-2-ONE | A | 1ZS5 | 0.76 | ![]() |
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 | ![]() |
IND![]() | INDOLE | A | 1L4H | 0.75 | ![]() |
IND![]() | INDOLE | A,B,G | 1O7N | 0.75 | ![]() |
IND![]() | INDOLE | A | 185L | 0.75 | ![]() |
IND![]() | INDOLE | A,B | 1EG9 | 0.75 | ![]() |
IND![]() | INDOLE | A,B | 1UUV | 0.75 | ![]() |
IND![]() | INDOLE | A,C,E | 2B24 | 0.75 | ![]() |
IND![]() | INDOLE | A,B,C,D,E,F | 2P85 | 0.75 | ![]() |
278![]() | 1-(1-methyl-1H-pyrrol-2-yl)methanamine | X | 2RBV | 0.82 | ![]() |
APY![]() | 2-AMINOMETHYL-PYRIDINE | A,B,I | 1HIV | 0.75 | ![]() |
APY![]() | 2-AMINOMETHYL-PYRIDINE | I | 1IVP | 0.75 | ![]() |
23M![]() | 2-(3-METHYLPHENYL)-1H-INDOLE-5- CARBOXIMIDAMIDE | A | 2G5N | 0.71 | ![]() |
C08![]() | difluoro(5-{2-[(5-octyl-1H-pyrrol- 2-yl-kappaN)methylidene]-2H-pyrrol- 5-yl-kappaN}pentanoato)boron | A,B | 2ZK6 | 0.71 | ![]() |
3MP![]() | 3-METHYLPYRIDINE | A | 1EUB | 0.7 | ![]() |
3MP![]() | 3-METHYLPYRIDINE | A | 1BM6 | 0.7 | ![]() |
CRZ![]() | 4-(9H-CARBAZOL-9-YL)BUTANOIC ACID | A | 1TOW | 0.7 | ![]() |
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 | 0.76 | ![]() |
NCT![]() | (S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE | A | 1P2Y | 0.76 | ![]() |
NCT![]() | (S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE | A | 1P7R | 0.76 | ![]() |
286![]() | 2-ethenyl-1-methylpyridinium | X | 2RC2 | 0.81 | ![]() |
AUP![]() | 2-(2-PHENYL-3-PYRIDIN-2-YL-4,5,6,7- TETRAHYDRO-2H-ISOPHOSPHINDOL-1- YL)PYRIDINE | A | 2AAQ | 0.73 | ![]() |
047![]() | 1-CYCLOHEXYL-N-{[1-(4-METHYLPHENYL)- 1H-INDOL-3-YL]METHYL}METHANAMINE | A,B | 2PJL | 0.74 | ![]() |
P83![]() | 1-(9-ethyl-9H-carbazol-3-yl)-N- methylmethanamine | A,B | 2VUK | 0.77 | ![]() |
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 | ![]() |
SB9![]() | HYDROXY[3-(6-METHYLPYRIDIN-2-YL)PROPYL]FORMAMIDE | P | 2AIE | 0.74 | ![]() |
275![]() | 5-amino-1,2-dimethylpyridinium | X | 2RBW | 0.76 | ![]() |
2MI![]() | 2-METHYL-1H-INDOLE | A | 2PIO | 0.76 | ![]() |
HBP![]() | 1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIME | A,B | 2GYV | 0.75 | ![]() |
HBP![]() | 1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIME | A,B | 2JF0 | 0.75 | ![]() |
9CA![]() | 9H-CARBAZOLE | A,B,C,D,E,F | 2DE7 | 0.71 | ![]() |
11X![]() | N-(pyridin-3-ylmethyl)aniline | A | 3EJ0 | 0.7 | ![]() |
L12![]() | 3-(2-PYRIDIN-4-YLETHYL)-1H-INDOLE | A | 1W84 | 0.74 | ![]() |