Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01297352
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 |
9DA | 9-DEAZAADENINE | A | 1L1R | 0.73 | |
9DA | 9-DEAZAADENINE | A | 1L1Q | 0.73 | |
IND | INDOLE | A | 1L4H | 0.84 | |
IND | INDOLE | A,B,G | 1O7N | 0.84 | |
IND | INDOLE | A | 185L | 0.84 | |
IND | INDOLE | A,B | 1EG9 | 0.84 | |
IND | INDOLE | A,B | 1UUV | 0.84 | |
IND | INDOLE | A,C,E | 2B24 | 0.84 | |
IND | INDOLE | A,B,C,D,E,F | 2P85 | 0.84 | |
C8C | 2-amino-6-[2-(1H-indol-6-yl)ethyl]pyrimidin- 4(3H)-one | A | 2VA5 | 0.73 | |
TPL | TRYPTOPHANOL | A | 1EE7 | 0.75 | |
TSS | 2-(1H-INDOL-3-YL)ETHANAMINE | A,B,D,H | 2IUQ | 0.84 | |
TSS | 2-(1H-INDOL-3-YL)ETHANAMINE | A,B | 2FPB | 0.84 | |
TSS | 2-(1H-INDOL-3-YL)ETHANAMINE | D,H | 2AGW | 0.84 | |
TSS | 2-(1H-INDOL-3-YL)ETHANAMINE | A | 2PQL | 0.84 | |
4FW | 4-FLUOROTRYPTOPHANE | A | 1RM9 | 0.72 | |
FTR | FLUOROTRYPTOPHANE | A | 2JT8 | 0.72 | |
FTR | FLUOROTRYPTOPHANE | A,B | 1NF0 | 0.72 | |
FTR | FLUOROTRYPTOPHANE | A | 2JTZ | 0.72 | |
FTR | FLUOROTRYPTOPHANE | A,B | 1I45 | 0.72 | |
FTR | FLUOROTRYPTOPHANE | A,B | 2ZNX | 0.72 | |
FTR | FLUOROTRYPTOPHANE | A,B | 1NEY | 0.72 | |
FTR | FLUOROTRYPTOPHANE | A,B | 5FWG | 0.72 | |
GVH | 1H-PYRROLO[2,3-B]PYRIDINE | A | 2UVX | 0.71 | |
MIB | (3E)-4-(1-METHYL-1H-INDOL-3-YL)BUT- 3-EN-2-ONE | A | 1ZS5 | 0.71 | |
LTN | L-TRYPTOPHANAMIDE | A | 1MAU | 0.76 | |
LTN | L-TRYPTOPHANAMIDE | A,B | 2QUI | 0.76 | |
286 | 2-ethenyl-1-methylpyridinium | X | 2RC2 | 0.8 | |
IPL | INDOLE-3-PROPANOL PHOSPHATE | A,B | 1BEU | 0.72 | |
IPL | INDOLE-3-PROPANOL PHOSPHATE | A,B | 1QOP | 0.72 | |
IPL | INDOLE-3-PROPANOL PHOSPHATE | A,B | 2TRS | 0.72 | |
IPL | INDOLE-3-PROPANOL PHOSPHATE | A | 1WXJ | 0.72 | |
IPL | INDOLE-3-PROPANOL PHOSPHATE | A,B | 1KFC | 0.72 | |
11X | N-(pyridin-3-ylmethyl)aniline | A | 3EJ0 | 0.83 | |
F10 | 2-[2-(2-FLUOROPHENYL)PYRIDIN-4- YL]-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2- C]PYRIDIN-4-ONE | X | 2P3G | 0.72 | |
A8N | N-9-(1',2',3',4'-TETRAHYDROACRIDINYL)- 1,8-DIAMINOOCTANE | A | 1UT6 | 0.71 | |
I3A | 1H-INDOLE-3-CARBALDEHYDE | A,B,C,D | 3BWL | 0.71 | |
I3A | 1H-INDOLE-3-CARBALDEHYDE | A,B | 2OU3 | 0.71 | |
23M | 2-(3-METHYLPHENYL)-1H-INDOLE-5- CARBOXIMIDAMIDE | A | 2G5N | 0.71 | |
4AP | 4-AMINOPYRIDINE | A | 1AEG | 0.83 | |
047 | 1-CYCLOHEXYL-N-{[1-(4-METHYLPHENYL)- 1H-INDOL-3-YL]METHYL}METHANAMINE | A,B | 2PJL | 0.75 | |
D4G | A,B,C,D | 2FDY | 0.7 | ||
LG4 | 5-METHYLPYRIDIN-2-AMINE | A | 2EUP | 0.7 | |
C4E | N-phenyl-1H-pyrrolo[2,3-b]pyridin- 3-amine | A,B,C,D | 3C4E | 0.72 | |
OWL | N-1H-imidazol-2-yl-N'-[4-(1H-imidazol- 2-ylamino)phenyl]benzene-1,4-diamine | A,G | 3FSI | 0.73 | |
LL1 | 3-pyridin-4-yl-1H-indazole | A | 3DNE | 0.74 | |
3MP | 3-METHYLPYRIDINE | A | 1EUB | 0.72 | |
3MP | 3-METHYLPYRIDINE | A | 1BM6 | 0.72 | |
L12 | 3-(2-PYRIDIN-4-YLETHYL)-1H-INDOLE | A | 1W84 | 0.83 | |
RKA | N,N'-(1H-PYRROLE-2,5-DIYLDI-4,1- PHENYLENE)DIBENZENECARBOXIMIDAMIDE | A | 2GYX | 0.72 | |
IOP | INDOLYLPROPIONIC ACID | A,B | 1AHF | 0.71 | |
IOP | INDOLYLPROPIONIC ACID | A | 2OLI | 0.71 | |
IOP | INDOLYLPROPIONIC ACID | A,B | 2AY5 | 0.71 | |
TSR | 2-(1H-INDOL-3-YL)ACETAMIDE | D,H | 2OJY | 0.76 | |
TSR | 2-(1H-INDOL-3-YL)ACETAMIDE | A,D,H | 2OIZ | 0.76 | |
AUP | 2-(2-PHENYL-3-PYRIDIN-2-YL-4,5,6,7- TETRAHYDRO-2H-ISOPHOSPHINDOL-1- YL)PYRIDINE | A | 2AAQ | 0.73 | |
DA1 | PYRIDINE-2,5-DIAMINE | A | 2AQD | 0.73 | |
9CA | 9H-CARBAZOLE | A,B,C,D,E,F | 2DE7 | 0.73 | |
8AP | N~3~-BENZYLPYRIDINE-2,3-DIAMINE | A | 2OHM | 0.74 | |
C53 | 2-IMINO-5-(1-PYRIDIN-2-YL-METH- (E)-YLIDENE)-1,3-THIAZOLIDIN-4- ONE | A | 2V0D | 0.74 | |
GG5 | 4-[3-(4-FLUOROPHENYL)-1H-PYRAZOL- 4-YL]PYRIDINE | A | 3HVC | 0.77 | |
3IB | 3-INDOLEBUTYRIC ACID | A,B | 2AY6 | 0.72 | |
3IB | 3-INDOLEBUTYRIC ACID | A,B,C,E | 2GJ6 | 0.72 | |
PIM | 4-PHENYL-1H-IMIDAZOLE | A,B | 2D0T | 0.74 | |
PIM | 4-PHENYL-1H-IMIDAZOLE | A | 1E9X | 0.74 | |
PIM | 4-PHENYL-1H-IMIDAZOLE | A | 1PHD | 0.74 | |
PIM | 4-PHENYL-1H-IMIDAZOLE | A,B,C,D | 2RFC | 0.74 | |
PIM | 4-PHENYL-1H-IMIDAZOLE | A | 1ODO | 0.74 | |
PIM | 4-PHENYL-1H-IMIDAZOLE | A | 3E5K | 0.74 | |
PIM | 4-PHENYL-1H-IMIDAZOLE | A | 1PHE | 0.74 | |
PIM | 4-PHENYL-1H-IMIDAZOLE | A,B | 1F4T | 0.74 | |
PIM | 4-PHENYL-1H-IMIDAZOLE | A | 1S1F | 0.74 | |
PIM | 4-PHENYL-1H-IMIDAZOLE | A | 1PHF | 0.74 | |
FPH | 3-(4-FLUOROPHENYL)-2-PYRIDIN-4- YL-1H-PYRROLO[3,2-B]PYRIDIN-1-OL | A | 1OZ1 | 0.72 | |
BZI | BENZIMIDAZOLE | A | 1RYC | 0.73 | |
BZI | BENZIMIDAZOLE | A | 1L5F | 0.73 | |
BZI | BENZIMIDAZOLE | A | 1KXM | 0.73 | |
APY | 2-AMINOMETHYL-PYRIDINE | A,B,I | 1HIV | 0.83 | |
APY | 2-AMINOMETHYL-PYRIDINE | I | 1IVP | 0.83 | |
MI2 | 2-(2-METHYLPHENYL)-1H-INDOLE-5- CARBOXIMIDAMIDE | A | 2G8T | 0.7 | |
2MI | 2-METHYL-1H-INDOLE | A | 2PIO | 0.76 | |
HBP | 1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIME | A,B | 2GYV | 0.74 | |
HBP | 1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIME | A,B | 2JF0 | 0.74 | |
ITR | IMINO-TRYPTOPHAN | A,B,C,D,E,F, G,H | 1DDO | 0.71 | |
TSC | (1S)-1-AMINO-2-(1H-INDOL-3-YL)ETHANOL | D,H | 2AH0 | 0.74 | |
TSC | (1S)-1-AMINO-2-(1H-INDOL-3-YL)ETHANOL | D,H | 2AGZ | 0.74 | |
ISQ | ISOQUINOLINE | A | 1GDK | 0.7 | |
22M | 2-(2-METHYLPHENYL)-1H-INDOLE-6- CARBOXIMIDAMIDE | A | 2G5V | 0.7 | |
6IP | 6-[2-(1H-INDOL-6-YL)ETHYL]PYRIDIN- 2-AMINE | A | 2OHP | 0.77 | |
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 | 0.75 | |
NCT | (S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE | A | 1P2Y | 0.75 | |
NCT | (S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE | A | 1P7R | 0.75 | |
TSH | 2-(1H-INDOL-3-YL)ETHANIMINE | D,H | 2AGY | 0.84 | |
TSH | 2-(1H-INDOL-3-YL)ETHANIMINE | D,H | 2AH0 | 0.84 | |
TSH | 2-(1H-INDOL-3-YL)ETHANIMINE | D,H | 2AGX | 0.84 | |
5MP | 5-METHYLPYRROLE | A | 1LI6 | 0.71 | |
NPM | N-[(1E)-PYRIDIN-2-YLMETHYLENE]- N-[4-(4-{[(1E)-PYRIDIN-2-YLMETHYLENE]AMINO}BENZYL)PHENYL]AMINE | A,B | 2ET0 | 0.74 | |
278 | 1-(1-methyl-1H-pyrrol-2-yl)methanamine | X | 2RBV | 0.84 | |
275 | 5-amino-1,2-dimethylpyridinium | X | 2RBW | 0.8 | |
3AP | 3-AMINOPYRIDINE | A | 1AEF | 0.83 | |
P83 | 1-(9-ethyl-9H-carbazol-3-yl)-N- methylmethanamine | A,B | 2VUK | 0.71 | |
IP6 | N~3~-[3-(1H-INDOL-6-YL)BENZYL]PYRIDINE- 2,3-DIAMINE | A | 2OHT | 0.71 | |
FIP | 5-FLUOROINDOLE PROPANOL PHOSPHATE | A,B | 1FUY | 0.74 | |
FIP | 5-FLUOROINDOLE PROPANOL PHOSPHATE | A,B | 1A50 | 0.74 | |
FIP | 5-FLUOROINDOLE PROPANOL PHOSPHATE | A,B | 1A5S | 0.74 | |
FT6 | 6-FLUORO-L-TRYPTOPHAN | A,B | 2NW9 | 0.72 | |
245 | 1-(2-chloropyridin-4-yl)-3-phenylurea | A | 2QKN | 0.72 | |
EPJ | EPIBATIDINE | A,B,C,D,E | 2BYQ | 0.72 | |
PZZ | 3-{3-[(DIMETHYLAMINO)METHYL]-1H- INDOL-7-YL}PROPAN-1-OL | A | 2QHW | 0.71 | |
LIG | 3-PYRIDIN-4-YL-2,4-DIHYDRO-INDENO[1,2- .C.]PYRAZOLE | P | 1JVP | 0.71 | |
2AP | 2-AMINOPYRIDINE | A | 1AEO | 0.76 | |
517 | 1-{2-OXO-3-[(1R)-1-(1H-PYRROL-2- YL)ETHYL]-2H-INDOL-5-YL}UREA | A | 2PE1 | 0.75 | |
RBU | A,B | 1BEX | 0.76 | ||
5IQ | ISOQUINOLIN-5-AMINE | A,B | 2F2T | 0.75 | |
DAP | 6-AMIDINE-2-(4-AMIDINO-PHENYL)INDOLE | A | 1D30 | 0.71 | |
DAP | 6-AMIDINE-2-(4-AMIDINO-PHENYL)INDOLE | A | 432D | 0.71 | |
NTN | ISONICOTINAMIDINE | A | 7ADH | 0.73 |