Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01528239
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 |
L12 | 3-(2-PYRIDIN-4-YLETHYL)-1H-INDOLE | A | 1W84 | 0.76 | |
MHC | 3-MERCAPTO-1-(1,3,4,9-TETRAHYDRO- B-CARBOLIN-2-YL)-PROPAN-1-ONE | A | 1NBP | 0.72 | |
DEQ | DEQUALINIUM | A,B,D,E | 1JT6 | 0.71 | |
DEQ | DEQUALINIUM | A,B,D,E | 3BR2 | 0.71 | |
DEQ | DEQUALINIUM | A | 1OYD | 0.71 | |
DEQ | DEQUALINIUM | A,B,D,E | 3BT9 | 0.71 | |
DEQ | DEQUALINIUM | A,B,D,E | 3BTJ | 0.71 | |
DEQ | DEQUALINIUM | A,B,D,E | 3BR1 | 0.71 | |
SCE | 3-methyl-N-(pyridin-4-ylmethyl)imidazo[1,2- a]pyrazin-8-amine | A | 2R3H | 0.72 | |
3LP | 1-(CYCLOHEXYLAMINO)-3-(6-METHYL- 3,4-DIHYDRO-1H-CARBAZOL-9(2H)-YL)PROPAN- 2-OL | A,B,C,D,E,F | 2P6G | 0.71 | |
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 | |
JI3 | N-{(3S,4S)-4-[(6-AMINO-4-METHYLPYRIDIN- 2-YL)METHYL]PYRROLIDIN-3-YL}-N'- (4-CHLOROBENZYL)ETHANE-1,2-DIAMINE | A,B | 3B3O | 0.7 | |
JI3 | N-{(3S,4S)-4-[(6-AMINO-4-METHYLPYRIDIN- 2-YL)METHYL]PYRROLIDIN-3-YL}-N'- (4-CHLOROBENZYL)ETHANE-1,2-DIAMINE | A,B | 3DQS | 0.7 | |
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 | |
23M | 2-(3-METHYLPHENYL)-1H-INDOLE-5- CARBOXIMIDAMIDE | A | 2G5N | 0.71 | |
9DA | 9-DEAZAADENINE | A | 1L1R | 0.7 | |
9DA | 9-DEAZAADENINE | A | 1L1Q | 0.7 | |
047 | 1-CYCLOHEXYL-N-{[1-(4-METHYLPHENYL)- 1H-INDOL-3-YL]METHYL}METHANAMINE | A,B | 2PJL | 0.73 | |
286 | 2-ethenyl-1-methylpyridinium | X | 2RC2 | 0.79 | |
JI7 | N-{(3R,4S)-4-[(6-amino-4-methylpyridin- 2-yl)methyl]pyrrolidin-3-yl}-N'- (3-chlorobenzyl)ethane-1,2-diamine | A,B | 3B3P | 0.7 | |
JI7 | N-{(3R,4S)-4-[(6-amino-4-methylpyridin- 2-yl)methyl]pyrrolidin-3-yl}-N'- (3-chlorobenzyl)ethane-1,2-diamine | A,B | 3DQT | 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 | |
PIU | 1-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}- 2,4,6-TRIMETHYLPYRIDINIUM | A | 1ZE8 | 0.7 | |
3AP | 3-AMINOPYRIDINE | A | 1AEF | 0.75 | |
JI1 | 3-({(3S,4S)-4-[(6-aminopyridin- 2-yl)methyl]pyrrolidin-3-yl}amino)propan- 1-ol | A,B | 3B3M | 0.72 | |
251 | N-[amino(imino)methyl]-2-(2,5-diphenyl- 1H-pyrrol-1-yl)acetamide | A | 2QU2 | 0.72 | |
8AP | N~3~-BENZYLPYRIDINE-2,3-DIAMINE | A | 2OHM | 0.71 | |
11X | N-(pyridin-3-ylmethyl)aniline | A | 3EJ0 | 0.75 | |
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 | |
275 | 5-amino-1,2-dimethylpyridinium | X | 2RBW | 0.81 | |
SB9 | HYDROXY[3-(6-METHYLPYRIDIN-2-YL)PROPYL]FORMAMIDE | P | 2AIE | 0.74 | |
6IP | 6-[2-(1H-INDOL-6-YL)ETHYL]PYRIDIN- 2-AMINE | A | 2OHP | 0.7 | |
2MI | 2-METHYL-1H-INDOLE | A | 2PIO | 0.76 | |
4AP | 4-AMINOPYRIDINE | A | 1AEG | 0.72 | |
278 | 1-(1-methyl-1H-pyrrol-2-yl)methanamine | X | 2RBV | 0.85 | |
AUP | 2-(2-PHENYL-3-PYRIDIN-2-YL-4,5,6,7- TETRAHYDRO-2H-ISOPHOSPHINDOL-1- YL)PYRIDINE | A | 2AAQ | 0.71 | |
9CA | 9H-CARBAZOLE | A,B,C,D,E,F | 2DE7 | 0.71 | |
HBP | 1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIME | A,B | 2GYV | 0.73 | |
HBP | 1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIME | A,B | 2JF0 | 0.73 | |
P83 | 1-(9-ethyl-9H-carbazol-3-yl)-N- methylmethanamine | A,B | 2VUK | 0.76 | |
BZI | BENZIMIDAZOLE | A | 1RYC | 0.7 | |
BZI | BENZIMIDAZOLE | A | 1L5F | 0.7 | |
BZI | BENZIMIDAZOLE | A | 1KXM | 0.7 | |
APY | 2-AMINOMETHYL-PYRIDINE | A,B,I | 1HIV | 0.81 | |
APY | 2-AMINOMETHYL-PYRIDINE | I | 1IVP | 0.81 | |
2PT | 1-[2-(ACRIDIN-9-YLAMINO)ETHYL]- 1,3-DIMETHYLTHIOUREA-PLATINUM(II)- ETHANE-1,2-DIAMINE | B | 1XRW | 0.71 | |
JI2 | N-{(3S,4S)-4-[(6-aminopyridin-2- yl)methyl]pyrrolidin-3-yl}ethane- 1,2-diamine | A,B | 3B3N | 0.78 | |
JI2 | N-{(3S,4S)-4-[(6-aminopyridin-2- yl)methyl]pyrrolidin-3-yl}ethane- 1,2-diamine | A,B | 3DQR | 0.78 |