Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00052644
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 |
MM0 | N,N'-(dibenzo[b,j][1,7]phenanthroline- 2,10-diyldimethanediyl)dipropan- 1-amine | B | 2JWQ | 0.73 | |
2AQ | QUINOLIN-2-AMINE | A | 2OHL | 0.77 | |
FBQ | 1-[3-({[(4-AMINO-5-FLUORO-2-METHYLQUINOLIN- 3-YL)METHYL]THIO}METHYL)PHENYL]- 2,2,2-TRIFLUOROETHANE-1,1-DIOL | A | 1HBJ | 0.76 | |
PRM | 3,8-DIAMINO-5[3-(DIETHYLMETHYLAMMONIO)PROPYL]- 6-PHENYLPHENANTHRIDINIUM | A,B | 1N5R | 0.72 | |
5IQ | ISOQUINOLIN-5-AMINE | A,B | 2F2T | 0.76 | |
2PT | 1-[2-(ACRIDIN-9-YLAMINO)ETHYL]- 1,3-DIMETHYLTHIOUREA-PLATINUM(II)- ETHANE-1,2-DIAMINE | B | 1XRW | 0.73 | |
PIU | 1-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}- 2,4,6-TRIMETHYLPYRIDINIUM | A | 1ZE8 | 0.73 | |
THA | TACRINE | A,B | 2AOW | 0.79 | |
THA | TACRINE | A,B,C,D,E,F | 1MX1 | 0.79 | |
THA | TACRINE | A,B | 2AOX | 0.79 | |
THA | TACRINE | A | 1ACJ | 0.79 | |
TQ3 | 5-PHENYLSULFANYL-2,4-QUINAZOLINEDIAMINE | A,B | 1IA1 | 0.75 | |
TQ5 | 5-[4-TERT-BUTYLPHENYLSULFANYL]- 2,4-QUINAZOLINEDIAMINE | A,B | 1IA3 | 0.72 | |
PRL | PROFLAVIN | H,I | 1BCU | 0.78 | |
PRL | PROFLAVIN | A,B,D,E | 1QVT | 0.78 | |
PRL | PROFLAVIN | A,B | 2KD4 | 0.78 | |
PRL | PROFLAVIN | A | 1QVU | 0.78 | |
IQU | N-(2-AMINOETHYL)ISOQUINOLINE-5- SULFONAMIDE | A,B,C,D | 2CKE | 0.73 | |
IQS | N-[2-(METHYLAMINO)ETHYL]-5-ISOQUINOLINESULFONAMIDE | E | 1YDS | 0.72 | |
I40 | 9-(3-IODOBENZYLAMINO)-1,2,3,4-TETRAHYDROACRIDINE | A | 1QON | 0.75 | |
BMO | N-ACRIDIN-9-YL-N'-[3-(ACRIDIN-9- YLAMINO)PROPYL]PROPANE-1,3-DIAMINE | A | 2GJB | 0.74 | |
QMS | N-(QUINOLIN-8-YL)METHANESULFONAMIDE | A | 2BB7 | 0.75 | |
A8N | N-9-(1',2',3',4'-TETRAHYDROACRIDINYL)- 1,8-DIAMINOOCTANE | A | 1UT6 | 0.77 | |
L12 | 3-(2-PYRIDIN-4-YLETHYL)-1H-INDOLE | A | 1W84 | 0.7 | |
AA7 | N,N'-DI-1,2,3,4-TETRAHYDROACRIDIN- 9-YLHEPTANE-1,7-DIAMINE | A | 2CKM | 0.74 | |
TQ4 | 5-[(4-METHYLPHENYL)SULFANYL]-2,4- QUINAZOLINEDIAMINE | A,B | 1IA2 | 0.74 | |
DCU | A,B | 1J07 | 0.71 | ||
ISQ | ISOQUINOLINE | A | 1GDK | 0.7 | |
DPT | 4,7-DIMETHYL-[1,10]PHENANTHROLINE | A,B | 1I53 | 0.71 | |
094 | 1-(2,6-DICHLOROPHENYL)-6-[(2,4- DIFLUOROPHENYL)SULFANYL]-7-(1,2,3,6- TETRAHYDRO-4-PYRIDINYL)-3,4-DIHYDROPYRIDO[3,2- D]PYRIMIDIN-2(1H)-ONE | A | 1OUY | 0.7 | |
N8T | N-[8-(1,2,3,4-TETRAHYDROACRIDIN- 9-YLTHIO)OCTYL]-1,2,3,4-TETRAHYDROACRIDIN- 9-AMINE | A | 2CEK | 0.83 | |
F11 | N,N'-DI-1,2,3,4-TETRAHYDROACRIDIN- 9-YLPENTANE-1,5-DIAMINE | A | 2CMF | 0.75 | |
PHN | 1,10-PHENANTHROLINE | A | 1LIH | 0.71 | |
PHN | 1,10-PHENANTHROLINE | A | 2LIG | 0.71 | |
PHN | 1,10-PHENANTHROLINE | A,B | 2FU7 | 0.71 | |
CLQ | N4-(7-CHLORO-QUINOLIN-4-YL)-N1,N1- DIETHYL-PENTANE-1,4-DIAMINE | A | 1CET | 0.7 | |
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 | |
11X | N-(pyridin-3-ylmethyl)aniline | A | 3EJ0 | 0.72 | |
760 | 9-(3-PHENYLMETHYLAMINO)-1,2,3,4- TETRAHYDROACRIDINE | A | 1DX4 | 0.77 |