Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00383165
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 |
PRL | PROFLAVIN | H,I | 1BCU | 0.75 |  |
| PRL | PROFLAVIN | A,B,D,E | 1QVT | 0.75 | |
| PRL | PROFLAVIN | A,B | 2KD4 | 0.75 | |
| PRL | PROFLAVIN | A | 1QVU | 0.75 | |
MM0 | N,N'-(dibenzo[b,j][1,7]phenanthroline- 2,10-diyldimethanediyl)dipropan- 1-amine | B | 2JWQ | 0.73 | |
2MI | 2-METHYL-1H-INDOLE | A | 2PIO | 0.78 | |
AS3 | 4-METHYL-6-PROPYLPYRIDIN-2-AMINE | A,B | 3E6N | 0.71 | |
F11 | N,N'-DI-1,2,3,4-TETRAHYDROACRIDIN- 9-YLPENTANE-1,5-DIAMINE | A | 2CMF | 0.71 | |
THA | TACRINE | A,B | 2AOW | 0.76 | |
| THA | TACRINE | A,B,C,D,E,F | 1MX1 | 0.76 | |
| THA | TACRINE | A,B | 2AOX | 0.76 | |
| THA | TACRINE | A | 1ACJ | 0.76 | |
9CA | 9H-CARBAZOLE | A,B,C,D,E,F | 2DE7 | 0.78 | |
T98 | 5-(4,4-DIMETHYL-2-THIOXO-1,4-DIHYDRO- 2H-3,1-BENZOXAZIN-6-YL)-1-METHYL- 1H-PYRROLE-2-CARBONITRILE | A,B | 1ZUC | 0.71 | |
PIU | 1-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}- 2,4,6-TRIMETHYLPYRIDINIUM | A | 1ZE8 | 0.73 | |
TSS | 2-(1H-INDOL-3-YL)ETHANAMINE | A,B,D,H | 2IUQ | 0.73 | |
| TSS | 2-(1H-INDOL-3-YL)ETHANAMINE | A,B | 2FPB | 0.73 | |
| TSS | 2-(1H-INDOL-3-YL)ETHANAMINE | D,H | 2AGW | 0.73 | |
| TSS | 2-(1H-INDOL-3-YL)ETHANAMINE | A | 2PQL | 0.73 | |
NPM | N-[(1E)-PYRIDIN-2-YLMETHYLENE]- N-[4-(4-{[(1E)-PYRIDIN-2-YLMETHYLENE]AMINO}BENZYL)PHENYL]AMINE | A,B | 2ET0 | 0.76 | |
422 | 3-(5-{[4-(AMINOMETHYL)PIPERIDIN- 1-YL]METHYL}-1H-INDOL-2-YL)-1H- INDAZOLE-6-CARBONITRILE | A | 2HXL | 0.72 | |
2PT | 1-[2-(ACRIDIN-9-YLAMINO)ETHYL]- 1,3-DIMETHYLTHIOUREA-PLATINUM(II)- ETHANE-1,2-DIAMINE | B | 1XRW | 0.72 | |
PRM | 3,8-DIAMINO-5[3-(DIETHYLMETHYLAMMONIO)PROPYL]- 6-PHENYLPHENANTHRIDINIUM | A,B | 1N5R | 0.75 | |
CRZ | 4-(9H-CARBAZOL-9-YL)BUTANOIC ACID | A | 1TOW | 0.72 | |
DCU | A,B | 1J07 | 0.74 | | |
23M | 2-(3-METHYLPHENYL)-1H-INDOLE-5- CARBOXIMIDAMIDE | A | 2G5N | 0.79 | |
I40 | 9-(3-IODOBENZYLAMINO)-1,2,3,4-TETRAHYDROACRIDINE | A | 1QON | 0.73 | |
AUP | 2-(2-PHENYL-3-PYRIDIN-2-YL-4,5,6,7- TETRAHYDRO-2H-ISOPHOSPHINDOL-1- YL)PYRIDINE | A | 2AAQ | 0.73 | |
DAP | 6-AMIDINE-2-(4-AMIDINO-PHENYL)INDOLE | A | 1D30 | 0.78 | |
| DAP | 6-AMIDINE-2-(4-AMIDINO-PHENYL)INDOLE | A | 432D | 0.78 | |
A8N | N-9-(1',2',3',4'-TETRAHYDROACRIDINYL)- 1,8-DIAMINOOCTANE | A | 1UT6 | 0.72 | |
WSK | (2S)-1-(3,6-DIBROMO-9H-CARBAZOL- 9-YL)-3-(DIMETHYLAMINO)PROPAN-2- OL | A | 1T84 | 0.71 | |
047 | 1-CYCLOHEXYL-N-{[1-(4-METHYLPHENYL)- 1H-INDOL-3-YL]METHYL}METHANAMINE | A,B | 2PJL | 0.76 | |
MGR | MALACHITE GREEN | A,B | 3BQZ | 0.74 | |
| MGR | MALACHITE GREEN | A | 1Q8N | 0.74 | |
| MGR | MALACHITE GREEN | A,B | 3BR0 | 0.74 | |
| MGR | MALACHITE GREEN | A,D,E | 3BTL | 0.74 | |
| MGR | MALACHITE GREEN | A,B,D,E | 3BTC | 0.74 | |
| MGR | MALACHITE GREEN | A,B,D,E | 1JUP | 0.74 | |
BMO | N-ACRIDIN-9-YL-N'-[3-(ACRIDIN-9- YLAMINO)PROPYL]PROPANE-1,3-DIAMINE | A | 2GJB | 0.71 | |
MI2 | 2-(2-METHYLPHENYL)-1H-INDOLE-5- CARBOXIMIDAMIDE | A | 2G8T | 0.78 | |
TSH | 2-(1H-INDOL-3-YL)ETHANIMINE | D,H | 2AGY | 0.73 | |
| TSH | 2-(1H-INDOL-3-YL)ETHANIMINE | D,H | 2AH0 | 0.73 | |
| TSH | 2-(1H-INDOL-3-YL)ETHANIMINE | D,H | 2AGX | 0.73 | |
FTL | 4-[(3-CYANO-BENZYL)-(3-METHYL-3H- IMIDAZOL-4-YLMETHYL)-AMINO]-2-NAPHTHALEN- 1-YL-BENZONITRILE | B | 1NL4 | 0.71 | |
22M | 2-(2-METHYLPHENYL)-1H-INDOLE-6- CARBOXIMIDAMIDE | A | 2G5V | 0.78 | |
2AQ | QUINOLIN-2-AMINE | A | 2OHL | 0.71 | |
L12 | 3-(2-PYRIDIN-4-YLETHYL)-1H-INDOLE | A | 1W84 | 0.72 | |
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 | 0.73 | |
| NCT | (S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE | A | 1P2Y | 0.73 | |
| NCT | (S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE | A | 1P7R | 0.73 | |
760 | 9-(3-PHENYLMETHYLAMINO)-1,2,3,4- TETRAHYDROACRIDINE | A | 1DX4 | 0.74 | |
251 | N-[amino(imino)methyl]-2-(2,5-diphenyl- 1H-pyrrol-1-yl)acetamide | A | 2QU2 | 0.76 | |
CVI | CRYSTAL VIOLET | A,B,D,E | 1JTX | 0.74 | |
ZAM | 3-[(ACETYL-METHYL-AMINO)-METHYL]- 4-AMINO-N-METHYL-N-(1-METHYL-1H- INDOL-2-YLMETHYL)-BENZAMIDE | A,B | 1LX6 | 0.7 | |
LG1 | 3,11-DIFLUORO-6,8,13-TRIMETHYL- 8H-QUINO[4,3,2-KL]ACRIDIN-13-IUM | A,B,D | 1NZM | 0.74 | |
MIB | (3E)-4-(1-METHYL-1H-INDOL-3-YL)BUT- 3-EN-2-ONE | A | 1ZS5 | 0.73 | |
580 | 3-(4-FLUOROPHENYL)-2-(6-METHYLPYRIDIN- 2-YL)-5,6-DIHYDRO-4H-PYRROLO[1,2- B]PYRAZOLE | A | 1RW8 | 0.71 | |
3LP | 1-(CYCLOHEXYLAMINO)-3-(6-METHYL- 3,4-DIHYDRO-1H-CARBAZOL-9(2H)-YL)PROPAN- 2-OL | A,B,C,D,E,F | 2P6G | 0.74 | |
P83 | 1-(9-ethyl-9H-carbazol-3-yl)-N- methylmethanamine | A,B | 2VUK | 0.81 | |
NSC | N,N'-BIS(4-AMINO-2-METHYLQUINOLIN- 6-YL)UREA | A,B | 1PWP | 0.71 | |
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 | |
RKA | N,N'-(1H-PYRROLE-2,5-DIYLDI-4,1- PHENYLENE)DIBENZENECARBOXIMIDAMIDE | A | 2GYX | 0.79 | |
TTR | 9-ACETYL-2,3,4,9-TETRAHYDRO-1H- CARBAZOL-1-ONE | A | 2D82 | 0.72 | |
AA7 | N,N'-DI-1,2,3,4-TETRAHYDROACRIDIN- 9-YLHEPTANE-1,7-DIAMINE | A | 2CKM | 0.7 | |
IND | INDOLE | A | 1L4H | 0.71 | |
| IND | INDOLE | A,B,G | 1O7N | 0.71 | |
| IND | INDOLE | A | 185L | 0.71 | |
| IND | INDOLE | A,B | 1EG9 | 0.71 | |
| IND | INDOLE | A,B | 1UUV | 0.71 | |
| IND | INDOLE | A,C,E | 2B24 | 0.71 | |
| IND | INDOLE | A,B,C,D,E,F | 2P85 | 0.71 | |