Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00047496
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 |
5MP![]() | 5-METHYLPYRROLE | A | 1LI6 | 0.77 | ![]() |
TSH![]() | 2-(1H-INDOL-3-YL)ETHANIMINE | D,H | 2AGY | 0.8 | ![]() |
TSH![]() | 2-(1H-INDOL-3-YL)ETHANIMINE | D,H | 2AH0 | 0.8 | ![]() |
TSH![]() | 2-(1H-INDOL-3-YL)ETHANIMINE | D,H | 2AGX | 0.8 | ![]() |
AUP![]() | 2-(2-PHENYL-3-PYRIDIN-2-YL-4,5,6,7- TETRAHYDRO-2H-ISOPHOSPHINDOL-1- YL)PYRIDINE | A | 2AAQ | 0.7 | ![]() |
2MI![]() | 2-METHYL-1H-INDOLE | A | 2PIO | 0.72 | ![]() |
3MP![]() | 3-METHYLPYRIDINE | A | 1EUB | 0.74 | ![]() |
3MP![]() | 3-METHYLPYRIDINE | A | 1BM6 | 0.74 | ![]() |
517![]() | 1-{2-OXO-3-[(1R)-1-(1H-PYRROL-2- YL)ETHYL]-2H-INDOL-5-YL}UREA | A | 2PE1 | 0.71 | ![]() |
4AP![]() | 4-AMINOPYRIDINE | A | 1AEG | 0.81 | ![]() |
C53![]() | 2-IMINO-5-(1-PYRIDIN-2-YL-METH- (E)-YLIDENE)-1,3-THIAZOLIDIN-4- ONE | A | 2V0D | 0.72 | ![]() |
MIL![]() | MILRINONE | A,B | 1TLM | 0.74 | ![]() |
RBU![]() | A,B | 1BEX | 0.72 | ![]() | |
11X![]() | N-(pyridin-3-ylmethyl)aniline | A | 3EJ0 | 0.79 | ![]() |
EPJ![]() | EPIBATIDINE | A,B,C,D,E | 2BYQ | 0.71 | ![]() |
HBP![]() | 1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIME | A,B | 2GYV | 0.71 | ![]() |
HBP![]() | 1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIME | A,B | 2JF0 | 0.71 | ![]() |
286![]() | 2-ethenyl-1-methylpyridinium | X | 2RC2 | 0.76 | ![]() |
047![]() | 1-CYCLOHEXYL-N-{[1-(4-METHYLPHENYL)- 1H-INDOL-3-YL]METHYL}METHANAMINE | A,B | 2PJL | 0.71 | ![]() |
8AP![]() | N~3~-BENZYLPYRIDINE-2,3-DIAMINE | A | 2OHM | 0.71 | ![]() |
PYC![]() | PYRROLE-2-CARBOXYLATE | A | 1W62 | 0.71 | ![]() |
PYC![]() | PYRROLE-2-CARBOXYLATE | A,B | 1L9D | 0.71 | ![]() |
PYC![]() | PYRROLE-2-CARBOXYLATE | A,B | 2CWH | 0.71 | ![]() |
PYC![]() | PYRROLE-2-CARBOXYLATE | A,B | 1W61 | 0.71 | ![]() |
PYC![]() | PYRROLE-2-CARBOXYLATE | A,B | 1ELI | 0.71 | ![]() |
GG5![]() | 4-[3-(4-FLUOROPHENYL)-1H-PYRAZOL- 4-YL]PYRIDINE | A | 3HVC | 0.72 | ![]() |
L12![]() | 3-(2-PYRIDIN-4-YLETHYL)-1H-INDOLE | A | 1W84 | 0.78 | ![]() |
275![]() | 5-amino-1,2-dimethylpyridinium | X | 2RBW | 0.76 | ![]() |
5IQ![]() | ISOQUINOLIN-5-AMINE | A,B | 2F2T | 0.72 | ![]() |
LTN![]() | L-TRYPTOPHANAMIDE | A | 1MAU | 0.72 | ![]() |
LTN![]() | L-TRYPTOPHANAMIDE | A,B | 2QUI | 0.72 | ![]() |
LL1![]() | 3-pyridin-4-yl-1H-indazole | A | 3DNE | 0.71 | ![]() |
278![]() | 1-(1-methyl-1H-pyrrol-2-yl)methanamine | X | 2RBV | 0.85 | ![]() |
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 | 0.74 | ![]() |
NCT![]() | (S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE | A | 1P2Y | 0.74 | ![]() |
NCT![]() | (S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE | A | 1P7R | 0.74 | ![]() |
PY2![]() | 3-(MERCAPTOMETHYLENE)PYRIDINE | A,B | 1IDA | 0.71 | ![]() |
GVH![]() | 1H-PYRROLO[2,3-B]PYRIDINE | A | 2UVX | 0.72 | ![]() |
PIM![]() | 4-PHENYL-1H-IMIDAZOLE | A,B | 2D0T | 0.73 | ![]() |
PIM![]() | 4-PHENYL-1H-IMIDAZOLE | A | 1E9X | 0.73 | ![]() |
PIM![]() | 4-PHENYL-1H-IMIDAZOLE | A | 1PHD | 0.73 | ![]() |
PIM![]() | 4-PHENYL-1H-IMIDAZOLE | A,B,C,D | 2RFC | 0.73 | ![]() |
PIM![]() | 4-PHENYL-1H-IMIDAZOLE | A | 1ODO | 0.73 | ![]() |
PIM![]() | 4-PHENYL-1H-IMIDAZOLE | A | 3E5K | 0.73 | ![]() |
PIM![]() | 4-PHENYL-1H-IMIDAZOLE | A | 1PHE | 0.73 | ![]() |
PIM![]() | 4-PHENYL-1H-IMIDAZOLE | A,B | 1F4T | 0.73 | ![]() |
PIM![]() | 4-PHENYL-1H-IMIDAZOLE | A | 1S1F | 0.73 | ![]() |
PIM![]() | 4-PHENYL-1H-IMIDAZOLE | A | 1PHF | 0.73 | ![]() |
DA1![]() | PYRIDINE-2,5-DIAMINE | A | 2AQD | 0.71 | ![]() |
TSS![]() | 2-(1H-INDOL-3-YL)ETHANAMINE | A,B,D,H | 2IUQ | 0.8 | ![]() |
TSS![]() | 2-(1H-INDOL-3-YL)ETHANAMINE | A,B | 2FPB | 0.8 | ![]() |
TSS![]() | 2-(1H-INDOL-3-YL)ETHANAMINE | D,H | 2AGW | 0.8 | ![]() |
TSS![]() | 2-(1H-INDOL-3-YL)ETHANAMINE | A | 2PQL | 0.8 | ![]() |
3AP![]() | 3-AMINOPYRIDINE | A | 1AEF | 0.81 | ![]() |
6IP![]() | 6-[2-(1H-INDOL-6-YL)ETHYL]PYRIDIN- 2-AMINE | A | 2OHP | 0.73 | ![]() |
TSR![]() | 2-(1H-INDOL-3-YL)ACETAMIDE | D,H | 2OJY | 0.72 | ![]() |
TSR![]() | 2-(1H-INDOL-3-YL)ACETAMIDE | A,D,H | 2OIZ | 0.72 | ![]() |
BVF![]() | 4-METHYLPYRIDIN-2-AMINE | A,B | 3E67 | 0.7 | ![]() |
BVF![]() | 4-METHYLPYRIDIN-2-AMINE | A | 2EUT | 0.7 | ![]() |
9DA![]() | 9-DEAZAADENINE | A | 1L1R | 0.71 | ![]() |
9DA![]() | 9-DEAZAADENINE | A | 1L1Q | 0.71 | ![]() |
APY![]() | 2-AMINOMETHYL-PYRIDINE | A,B,I | 1HIV | 0.79 | ![]() |
APY![]() | 2-AMINOMETHYL-PYRIDINE | I | 1IVP | 0.79 | ![]() |
LG4![]() | 5-METHYLPYRIDIN-2-AMINE | A | 2EUP | 0.71 | ![]() |
TPL![]() | TRYPTOPHANOL | A | 1EE7 | 0.71 | ![]() |
IND![]() | INDOLE | A | 1L4H | 0.81 | ![]() |
IND![]() | INDOLE | A,B,G | 1O7N | 0.81 | ![]() |
IND![]() | INDOLE | A | 185L | 0.81 | ![]() |
IND![]() | INDOLE | A,B | 1EG9 | 0.81 | ![]() |
IND![]() | INDOLE | A,B | 1UUV | 0.81 | ![]() |
IND![]() | INDOLE | A,C,E | 2B24 | 0.81 | ![]() |
IND![]() | INDOLE | A,B,C,D,E,F | 2P85 | 0.81 | ![]() |
2AP![]() | 2-AMINOPYRIDINE | A | 1AEO | 0.76 | ![]() |
NTN![]() | ISONICOTINAMIDINE | A | 7ADH | 0.75 | ![]() |