Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02256953
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 |
DAP![]() | 6-AMIDINE-2-(4-AMIDINO-PHENYL)INDOLE | A | 1D30 | 0.74 | ![]() |
DAP![]() | 6-AMIDINE-2-(4-AMIDINO-PHENYL)INDOLE | A | 432D | 0.74 | ![]() |
ESP![]() | THIENO[2,3-B]PYRIDINE-2-CARBOXAMIDINE | B | 1C5Y | 0.71 | ![]() |
ESP![]() | THIENO[2,3-B]PYRIDINE-2-CARBOXAMIDINE | A | 1C5U | 0.71 | ![]() |
ESP![]() | THIENO[2,3-B]PYRIDINE-2-CARBOXAMIDINE | A | 1C5T | 0.71 | ![]() |
N8T![]() | N-[8-(1,2,3,4-TETRAHYDROACRIDIN- 9-YLTHIO)OCTYL]-1,2,3,4-TETRAHYDROACRIDIN- 9-AMINE | A | 2CEK | 0.77 | ![]() |
THA![]() | TACRINE | A,B | 2AOW | 0.71 | ![]() |
THA![]() | TACRINE | A,B,C,D,E,F | 1MX1 | 0.71 | ![]() |
THA![]() | TACRINE | A,B | 2AOX | 0.71 | ![]() |
THA![]() | TACRINE | A | 1ACJ | 0.71 | ![]() |
5IQ![]() | ISOQUINOLIN-5-AMINE | A,B | 2F2T | 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 | 0.71 | ![]() |
2PT![]() | 1-[2-(ACRIDIN-9-YLAMINO)ETHYL]- 1,3-DIMETHYLTHIOUREA-PLATINUM(II)- ETHANE-1,2-DIAMINE | B | 1XRW | 0.73 | ![]() |
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 | ![]() |
LG1![]() | 3,11-DIFLUORO-6,8,13-TRIMETHYL- 8H-QUINO[4,3,2-KL]ACRIDIN-13-IUM | A,B,D | 1NZM | 0.71 | ![]() |
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 | ![]() |
373![]() | 3-(5-{[4-(AMINOMETHYL)PIPERIDIN- 1-YL]METHYL}-1H-INDOL-2-YL)QUINOLIN- 2(1H)-ONE | A | 2HXQ | 0.71 | ![]() |
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 | ![]() |
NPM![]() | N-[(1E)-PYRIDIN-2-YLMETHYLENE]- N-[4-(4-{[(1E)-PYRIDIN-2-YLMETHYLENE]AMINO}BENZYL)PHENYL]AMINE | A,B | 2ET0 | 0.71 | ![]() |
PIU![]() | 1-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}- 2,4,6-TRIMETHYLPYRIDINIUM | A | 1ZE8 | 0.72 | ![]() |
BMO![]() | N-ACRIDIN-9-YL-N'-[3-(ACRIDIN-9- YLAMINO)PROPYL]PROPANE-1,3-DIAMINE | A | 2GJB | 0.73 | ![]() |
PRM![]() | 3,8-DIAMINO-5[3-(DIETHYLMETHYLAMMONIO)PROPYL]- 6-PHENYLPHENANTHRIDINIUM | A,B | 1N5R | 0.74 | ![]() |
DCU![]() | A,B | 1J07 | 0.74 | ![]() | |
I40![]() | 9-(3-IODOBENZYLAMINO)-1,2,3,4-TETRAHYDROACRIDINE | A | 1QON | 0.73 | ![]() |
MM0![]() | N,N'-(dibenzo[b,j][1,7]phenanthroline- 2,10-diyldimethanediyl)dipropan- 1-amine | B | 2JWQ | 0.72 | ![]() |
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 | 0.79 | ![]() |
MHC![]() | 3-MERCAPTO-1-(1,3,4,9-TETRAHYDRO- B-CARBOLIN-2-YL)-PROPAN-1-ONE | A | 1NBP | 0.73 | ![]() |
9CA![]() | 9H-CARBAZOLE | A,B,C,D,E,F | 2DE7 | 0.73 | ![]() |
P83![]() | 1-(9-ethyl-9H-carbazol-3-yl)-N- methylmethanamine | A,B | 2VUK | 0.77 | ![]() |
A8N![]() | N-9-(1',2',3',4'-TETRAHYDROACRIDINYL)- 1,8-DIAMINOOCTANE | A | 1UT6 | 0.72 | ![]() |
047![]() | 1-CYCLOHEXYL-N-{[1-(4-METHYLPHENYL)- 1H-INDOL-3-YL]METHYL}METHANAMINE | A,B | 2PJL | 0.76 | ![]() |
23M![]() | 2-(3-METHYLPHENYL)-1H-INDOLE-5- CARBOXIMIDAMIDE | A | 2G5N | 0.73 | ![]() |
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 | ![]() |
F11![]() | N,N'-DI-1,2,3,4-TETRAHYDROACRIDIN- 9-YLPENTANE-1,5-DIAMINE | A | 2CMF | 0.72 | ![]() |
6IP![]() | 6-[2-(1H-INDOL-6-YL)ETHYL]PYRIDIN- 2-AMINE | A | 2OHP | 0.72 | ![]() |
MI2![]() | 2-(2-METHYLPHENYL)-1H-INDOLE-5- CARBOXIMIDAMIDE | A | 2G8T | 0.72 | ![]() |
760![]() | 9-(3-PHENYLMETHYLAMINO)-1,2,3,4- TETRAHYDROACRIDINE | A | 1DX4 | 0.74 | ![]() |
L12![]() | 3-(2-PYRIDIN-4-YLETHYL)-1H-INDOLE | A | 1W84 | 0.75 | ![]() |
3NA![]() | {3-[(4,5,7-TRIFLUORO-1,3-BENZOTHIAZOL- 2-YL)METHYL]-1H-INDOL-1-YL}ACETIC ACID | A | 1Z3N | 0.71 | ![]() |
IP6![]() | N~3~-[3-(1H-INDOL-6-YL)BENZYL]PYRIDINE- 2,3-DIAMINE | A | 2OHT | 0.71 | ![]() |
PRL![]() | PROFLAVIN | H,I | 1BCU | 0.71 | ![]() |
PRL![]() | PROFLAVIN | A,B,D,E | 1QVT | 0.71 | ![]() |
PRL![]() | PROFLAVIN | A,B | 2KD4 | 0.71 | ![]() |
PRL![]() | PROFLAVIN | A | 1QVU | 0.71 | ![]() |
AA7![]() | N,N'-DI-1,2,3,4-TETRAHYDROACRIDIN- 9-YLHEPTANE-1,7-DIAMINE | A | 2CKM | 0.72 | ![]() |
RKA![]() | N,N'-(1H-PYRROLE-2,5-DIYLDI-4,1- PHENYLENE)DIBENZENECARBOXIMIDAMIDE | A | 2GYX | 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 | ![]() |
22M![]() | 2-(2-METHYLPHENYL)-1H-INDOLE-6- CARBOXIMIDAMIDE | A | 2G5V | 0.73 | ![]() |