Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02758642
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 |
I40 | 9-(3-IODOBENZYLAMINO)-1,2,3,4-TETRAHYDROACRIDINE | A | 1QON | 0.72 | |
GW3 | 7-(1-ETHYL-PROPYL)-7H-PYRROLO-[3,2- F]QUINAZOLINE-1,3-DIAMINE | A,B | 1AOE | 0.71 | |
6IP | 6-[2-(1H-INDOL-6-YL)ETHYL]PYRIDIN- 2-AMINE | A | 2OHP | 0.71 | |
SN6 | 1-METHYL-4-[4-[4-(4-(1-METHYLQUINOLINIUM)AMINO)BENZAMIDO]ANILINO]PYRIDINIUM | A,B | 144D | 0.7 | |
AUP | 2-(2-PHENYL-3-PYRIDIN-2-YL-4,5,6,7- TETRAHYDRO-2H-ISOPHOSPHINDOL-1- YL)PYRIDINE | A | 2AAQ | 0.77 | |
FTL | 4-[(3-CYANO-BENZYL)-(3-METHYL-3H- IMIDAZOL-4-YLMETHYL)-AMINO]-2-NAPHTHALEN- 1-YL-BENZONITRILE | B | 1NL4 | 0.72 | |
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 | |
MM0 | N,N'-(dibenzo[b,j][1,7]phenanthroline- 2,10-diyldimethanediyl)dipropan- 1-amine | B | 2JWQ | 0.74 | |
IND | INDOLE | A | 1L4H | 0.72 | |
IND | INDOLE | A,B,G | 1O7N | 0.72 | |
IND | INDOLE | A | 185L | 0.72 | |
IND | INDOLE | A,B | 1EG9 | 0.72 | |
IND | INDOLE | A,B | 1UUV | 0.72 | |
IND | INDOLE | A,C,E | 2B24 | 0.72 | |
IND | INDOLE | A,B,C,D,E,F | 2P85 | 0.72 | |
PRM | 3,8-DIAMINO-5[3-(DIETHYLMETHYLAMMONIO)PROPYL]- 6-PHENYLPHENANTHRIDINIUM | A,B | 1N5R | 0.75 | |
TOT | 1,1-(4,4,8,8-TETRAMETHYL-4,8-DIAZAUNDECAMETHYLENE)- BIS-4-3-METHYL-2,3-DIHYDRO-(BENZO- 1,3-THIAZOLE)-2-METHYLIDENE)-QUINOLINIUM | A | 108D | 0.76 | |
DCU | A,B | 1J07 | 0.74 | ||
LG1 | 3,11-DIFLUORO-6,8,13-TRIMETHYL- 8H-QUINO[4,3,2-KL]ACRIDIN-13-IUM | A,B,D | 1NZM | 0.8 | |
PY1 | 4-(3-PYRIDIN-2-YL-1H-PYRAZOL-4- YL)QUINOLINE | A | 1PY5 | 0.7 | |
9HP | 9-(4-HYDROXYPHENYL)-2,7-PHENANTHROLINE | A | 1PMU | 0.7 | |
IP6 | N~3~-[3-(1H-INDOL-6-YL)BENZYL]PYRIDINE- 2,3-DIAMINE | A | 2OHT | 0.72 | |
BMO | N-ACRIDIN-9-YL-N'-[3-(ACRIDIN-9- YLAMINO)PROPYL]PROPANE-1,3-DIAMINE | A | 2GJB | 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 | |
MI2 | 2-(2-METHYLPHENYL)-1H-INDOLE-5- CARBOXIMIDAMIDE | A | 2G8T | 0.7 | |
R1C | bis(2,2'-bipyridine-kappa~2~N~1~,N~1'~)[chrysene- 5,6-diiminato(2-)-kappa~2~N,N']rhodium(4+) | A | 2O1I | 0.81 | |
R1C | bis(2,2'-bipyridine-kappa~2~N~1~,N~1'~)[chrysene- 5,6-diiminato(2-)-kappa~2~N,N']rhodium(4+) | A,B | 3GSK | 0.81 | |
R1C | bis(2,2'-bipyridine-kappa~2~N~1~,N~1'~)[chrysene- 5,6-diiminato(2-)-kappa~2~N,N']rhodium(4+) | A | 3GSJ | 0.81 | |
THA | TACRINE | A,B | 2AOW | 0.7 | |
THA | TACRINE | A,B,C,D,E,F | 1MX1 | 0.7 | |
THA | TACRINE | A,B | 2AOX | 0.7 | |
THA | TACRINE | A | 1ACJ | 0.7 | |
760 | 9-(3-PHENYLMETHYLAMINO)-1,2,3,4- TETRAHYDROACRIDINE | A | 1DX4 | 0.73 | |
DPT | 4,7-DIMETHYL-[1,10]PHENANTHROLINE | A,B | 1I53 | 0.76 | |
AA7 | N,N'-DI-1,2,3,4-TETRAHYDROACRIDIN- 9-YLHEPTANE-1,7-DIAMINE | A | 2CKM | 0.73 | |
047 | 1-CYCLOHEXYL-N-{[1-(4-METHYLPHENYL)- 1H-INDOL-3-YL]METHYL}METHANAMINE | A,B | 2PJL | 0.79 | |
9CA | 9H-CARBAZOLE | A,B,C,D,E,F | 2DE7 | 0.71 | |
PF7 | 4-(quinolin-3-ylmethyl)piperidine- 1-carboxylic acid | A,B | 2VYA | 0.75 | |
TZ4 | 3,8-DIAMINO-6-PHENYL-5-[6-[1-[2- [(1,2,3,4-TETRAHYDRO-9-ACRIDINYL)AMINO]ETHYL]- 1H-1,2,3-TRIAZOL-4-YL]HEXYL]-PHENANTHRIDINIUM | A,B | 1Q84 | 0.74 | |
GEQ | 5-{[4-(9H-FLUOREN-9-YL)PIPERAZIN- 1-YL]CARBONYL}-1H-INDOLE | A,B,C,D,E,F | 1P44 | 0.71 | |
L12 | 3-(2-PYRIDIN-4-YLETHYL)-1H-INDOLE | A | 1W84 | 0.77 | |
F11 | N,N'-DI-1,2,3,4-TETRAHYDROACRIDIN- 9-YLPENTANE-1,5-DIAMINE | A | 2CMF | 0.73 | |
FPH | 3-(4-FLUOROPHENYL)-2-PYRIDIN-4- YL-1H-PYRROLO[3,2-B]PYRIDIN-1-OL | A | 1OZ1 | 0.74 | |
NPM | N-[(1E)-PYRIDIN-2-YLMETHYLENE]- N-[4-(4-{[(1E)-PYRIDIN-2-YLMETHYLENE]AMINO}BENZYL)PHENYL]AMINE | A,B | 2ET0 | 0.78 | |
6NP | 6((S)-3-BENZYLPIPERAZIN-1-YL)-3- (NAPHTHALEN-2-YL)-4-(PYRIDIN-4- YL)PYRAZINE | A | 1YQJ | 0.71 | |
5IQ | ISOQUINOLIN-5-AMINE | A,B | 2F2T | 0.74 | |
ISQ | ISOQUINOLINE | A | 1GDK | 0.74 | |
PHN | 1,10-PHENANTHROLINE | A | 1LIH | 0.76 | |
PHN | 1,10-PHENANTHROLINE | A | 2LIG | 0.76 | |
PHN | 1,10-PHENANTHROLINE | A,B | 2FU7 | 0.76 | |
TZ5 | 3,8-DIAMINO-6-PHENYL-5-[6-[1-[2- [(1,2,3,4-TETRAHYDRO-9-ACRIDINYL)AMINO]ETHYL]- 1H-1,2,3-TRIAZOL-5-YL]HEXYL]-PHENANTHRIDINIUM | A,B | 1Q83 | 0.73 | |
CRZ | 4-(9H-CARBAZOL-9-YL)BUTANOIC ACID | A | 1TOW | 0.71 | |
MIB | (3E)-4-(1-METHYL-1H-INDOL-3-YL)BUT- 3-EN-2-ONE | A | 1ZS5 | 0.74 | |
DEQ | DEQUALINIUM | A,B,D,E | 1JT6 | 0.74 | |
DEQ | DEQUALINIUM | A,B,D,E | 3BR2 | 0.74 | |
DEQ | DEQUALINIUM | A | 1OYD | 0.74 | |
DEQ | DEQUALINIUM | A,B,D,E | 3BT9 | 0.74 | |
DEQ | DEQUALINIUM | A,B,D,E | 3BTJ | 0.74 | |
DEQ | DEQUALINIUM | A,B,D,E | 3BR1 | 0.74 |