Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03394007
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 | 0.77 | |
NCI | 3,6-Bis{3-[(2R)-(2-ethylpiperidino)]propionamido}acridine | A,B,C,D | 3EUI | 0.73 | |
NCI | 3,6-Bis{3-[(2R)-(2-ethylpiperidino)]propionamido}acridine | A,B | 3EQW | 0.73 | |
793 | 3-{[(1R)-1-phenylethyl]amino}-4- (pyridin-4-ylamino)cyclobut-3-ene- 1,2-dione | A | 3FPM | 0.73 | |
SN6 | 1-METHYL-4-[4-[4-(4-(1-METHYLQUINOLINIUM)AMINO)BENZAMIDO]ANILINO]PYRIDINIUM | A,B | 144D | 0.7 | |
DPT | 4,7-DIMETHYL-[1,10]PHENANTHROLINE | A,B | 1I53 | 0.77 | |
A1E | (5R)-5-{[10-(1,2,3,4-TETRAHYDROACRIDIN- 9-YLAMINO)DECYL]AMINO}-5,6,7,8- TETRAHYDROQUINOLIN-2(1H)-ONE | A | 1ZGB | 0.77 | |
DA7 | 5-FLUORO-9-AMINO-(N-(2-DIMETHYLAMINO)ETHYL)ACRIDINE- 4-CARBOXAMIDE | A | 1DL8 | 0.7 | |
MM0 | N,N'-(dibenzo[b,j][1,7]phenanthroline- 2,10-diyldimethanediyl)dipropan- 1-amine | B | 2JWQ | 0.74 | |
9AD | 9-AMINO-(N-(2-DIMETHYLAMINO)ETHYL)ACRIDINE- 4-CARBOXAMIDE | A | 465D | 0.73 | |
9AD | 9-AMINO-(N-(2-DIMETHYLAMINO)ETHYL)ACRIDINE- 4-CARBOXAMIDE | A | 452D | 0.73 | |
NCL | 3,6-Bis{3-(3-[(3R)-methylpiperidino)]propionamido}acridine | A,B | 3ET8 | 0.74 | |
LG1 | 3,11-DIFLUORO-6,8,13-TRIMETHYL- 8H-QUINO[4,3,2-KL]ACRIDIN-13-IUM | A,B,D | 1NZM | 0.71 | |
MIB | (3E)-4-(1-METHYL-1H-INDOL-3-YL)BUT- 3-EN-2-ONE | A | 1ZS5 | 0.79 | |
23M | 2-(3-METHYLPHENYL)-1H-INDOLE-5- CARBOXIMIDAMIDE | A | 2G5N | 0.71 | |
QNC | 2-CARBONYLQUINOLINE | A,B | 1MTB | 0.86 | |
QNC | 2-CARBONYLQUINOLINE | A,B | 2FGV | 0.86 | |
QNC | 2-CARBONYLQUINOLINE | I | 1IVQ | 0.86 | |
QNC | 2-CARBONYLQUINOLINE | A,B | 2FGU | 0.86 | |
QNC | 2-CARBONYLQUINOLINE | A | 1JLD | 0.86 | |
QNC | 2-CARBONYLQUINOLINE | A,B | 1HXB | 0.86 | |
DCU | A,B | 1J07 | 0.73 | ||
311 | (3,3-dimethylpiperidin-1-yl)(6- (3-fluoro-4-methylphenyl)pyridin- 2-yl)methanone | A,B,D,E | 3CH6 | 0.72 | |
PIU | 1-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}- 2,4,6-TRIMETHYLPYRIDINIUM | A | 1ZE8 | 0.72 | |
BRE | 2-BIPHENYL-4-YL-6-FLUORO-3-METHYL- QUINOLINE-4-CARBOXYLIC ACID | A | 1D3G | 0.71 | |
BRA | 9-[4-(n,n-dimethylamino)phenylamino]- 3,6-bis(3-pyrrolidinopropionamido) acridine | A | 3CE5 | 0.72 | |
PRM | 3,8-DIAMINO-5[3-(DIETHYLMETHYLAMMONIO)PROPYL]- 6-PHENYLPHENANTHRIDINIUM | A,B | 1N5R | 0.74 | |
NSC | N,N'-BIS(4-AMINO-2-METHYLQUINOLIN- 6-YL)UREA | A,B | 1PWP | 0.77 | |
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 | 0.71 | |
NCT | (S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE | A | 1P2Y | 0.71 | |
NCT | (S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE | A | 1P7R | 0.71 | |
760 | 9-(3-PHENYLMETHYLAMINO)-1,2,3,4- TETRAHYDROACRIDINE | A | 1DX4 | 0.79 | |
BMO | N-ACRIDIN-9-YL-N'-[3-(ACRIDIN-9- YLAMINO)PROPYL]PROPANE-1,3-DIAMINE | A | 2GJB | 0.74 | |
9CA | 9H-CARBAZOLE | A,B,C,D,E,F | 2DE7 | 0.73 | |
MYT | METYRAPONE | A | 1PHG | 0.71 | |
MYT | METYRAPONE | A | 1W0G | 0.71 | |
QMS | N-(QUINOLIN-8-YL)METHANESULFONAMIDE | A | 2BB7 | 0.75 | |
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 | |
MI2 | 2-(2-METHYLPHENYL)-1H-INDOLE-5- CARBOXIMIDAMIDE | A | 2G8T | 0.7 | |
NCQ | 3,6-Bis[3-(azepan-1-yl)propionamido]acridine | A,B | 3EUM | 0.74 | |
2MI | 2-METHYL-1H-INDOLE | A | 2PIO | 0.76 | |
7AD | 9-AMINO-N-[3-(DIMETHYLAMINO)PROPYL]ACRIDINE- 4-CARBOXAMIDE | A,B | 1RQY | 0.74 | |
A2E | (5S)-5-{[10-(1,2,3,4-TETRAHYDROACRIDIN- 9-YLAMINO)DECYL]AMINO}-5,6,7,8- TETRAHYDROQUINOLIN-2(1H)-ONE | A,B | 1ZGC | 0.77 | |
TAQ | 2,4,6-TRIAMINOQUINAZOLINE | A,B,C,D,E,F, G,H | 1W0C | 0.73 | |
IMQ | (2R,3R,4S)-2-(hydroxymethyl)-1- (quinolin-8-ylmethyl)pyrrolidine- 3,4-diol | A,B | 3EPX | 0.7 | |
ISQ | ISOQUINOLINE | A | 1GDK | 0.77 | |
QYT | (5E)-5-(QUINOXALIN-6-YLMETHYLENE)- 1,3-THIAZOLIDINE-2,4-DIONE | A | 2A5U | 0.72 | |
NPM | N-[(1E)-PYRIDIN-2-YLMETHYLENE]- N-[4-(4-{[(1E)-PYRIDIN-2-YLMETHYLENE]AMINO}BENZYL)PHENYL]AMINE | A,B | 2ET0 | 0.73 | |
QND | QUINALDIC ACID | A,B | 1IDA | 0.75 | |
5IQ | ISOQUINOLIN-5-AMINE | A,B | 2F2T | 0.78 | |
PF7 | 4-(quinolin-3-ylmethyl)piperidine- 1-carboxylic acid | A,B | 2VYA | 0.75 | |
22M | 2-(2-METHYLPHENYL)-1H-INDOLE-6- CARBOXIMIDAMIDE | A | 2G5V | 0.7 | |
DEQ | DEQUALINIUM | A,B,D,E | 1JT6 | 0.77 | |
DEQ | DEQUALINIUM | A,B,D,E | 3BR2 | 0.77 | |
DEQ | DEQUALINIUM | A | 1OYD | 0.77 | |
DEQ | DEQUALINIUM | A,B,D,E | 3BT9 | 0.77 | |
DEQ | DEQUALINIUM | A,B,D,E | 3BTJ | 0.77 | |
DEQ | DEQUALINIUM | A,B,D,E | 3BR1 | 0.77 | |
TTR | 9-ACETYL-2,3,4,9-TETRAHYDRO-1H- CARBAZOL-1-ONE | A | 2D82 | 0.74 | |
PRL | PROFLAVIN | H,I | 1BCU | 0.82 | |
PRL | PROFLAVIN | A,B,D,E | 1QVT | 0.82 | |
PRL | PROFLAVIN | A,B | 2KD4 | 0.82 | |
PRL | PROFLAVIN | A | 1QVU | 0.82 | |
9AC | 9-ACRIDINECARBONYL | A,B,G,J,K,L,M | 1G3X | 0.84 | |
A8N | N-9-(1',2',3',4'-TETRAHYDROACRIDINYL)- 1,8-DIAMINOOCTANE | A | 1UT6 | 0.78 | |
HUX | 3-CHLORO-9-ETHYL-6,7,8,9,10,11- HEXAHYDRO-7,11-METHANOCYCLOOCTA[B]QUINOLIN- 12-AMINE | A | 1E66 | 0.74 | |
THA | TACRINE | A,B | 2AOW | 0.85 | |
THA | TACRINE | A,B,C,D,E,F | 1MX1 | 0.85 | |
THA | TACRINE | A,B | 2AOX | 0.85 | |
THA | TACRINE | A | 1ACJ | 0.85 | |
BRF | A | 1UUO | 0.71 | ||
2AQ | QUINOLIN-2-AMINE | A | 2OHL | 0.82 | |
AS3 | 4-METHYL-6-PROPYLPYRIDIN-2-AMINE | A,B | 3E6N | 0.73 | |
QNO | 2-NONYL-4-HYDROXYQUINOLINE N-OXIDE | C,D,E | 1NU1 | 0.74 | |
QNO | 2-NONYL-4-HYDROXYQUINOLINE N-OXIDE | A,B,C,D,G | 2E75 | 0.74 | |
SB9 | HYDROXY[3-(6-METHYLPYRIDIN-2-YL)PROPYL]FORMAMIDE | P | 2AIE | 0.72 | |
CLQ | N4-(7-CHLORO-QUINOLIN-4-YL)-N1,N1- DIETHYL-PENTANE-1,4-DIAMINE | A | 1CET | 0.72 | |
8AD | 9-AMINO-(N-(2-DIMETHYLAMINO)BUTYL)ACRIDINE- 4-CARBOXAMIDE | A,B | 1FN2 | 0.74 | |
8AD | 9-AMINO-(N-(2-DIMETHYLAMINO)BUTYL)ACRIDINE- 4-CARBOXAMIDE | A,B | 1FN1 | 0.74 | |
F11 | N,N'-DI-1,2,3,4-TETRAHYDROACRIDIN- 9-YLPENTANE-1,5-DIAMINE | A | 2CMF | 0.75 | |
NC5 | 3-[(2R)-2-ethylpiperidin-1-yl]- N-[6-({3-[(2S)-2-ethylpiperidin- 1-yl]propanoyl}amino)acridin-3- yl]propanamide | A,B,C,D | 3EUI | 0.73 | |
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 | |
RBS | N-(4-PHENYLAMINO-QUINAZOLIN-6-YL)- ACRYLAMIDE | A,B | 2HWO | 0.71 | |
HQO | 2-HEPTYL-4-HYDROXY QUINOLINE N- OXIDE | A,B,C | 1KQG | 0.74 | |
HQO | 2-HEPTYL-4-HYDROXY QUINOLINE N- OXIDE | A,B,C,D,E,F | 2VR0 | 0.74 | |
HQO | 2-HEPTYL-4-HYDROXY QUINOLINE N- OXIDE | A,B,C,M,N,O,P | 1KF6 | 0.74 | |
IQZ | (12bS)-1,2,3,4,12,12b-hexahydroindolo[2,3- a]quinolizin-7(6H)-one | A | 1S1J | 0.71 | |
OA4 | 5-methyl-6-phenylquinazoline-2,4- diamine | A | 2W6P | 0.71 | |
PYN | 3-PYRROLIDIN-1-YL-N-[6-(3-PYRROLIDIN- 1-YL-PROPIONYLAMINO)-ACRIDIN-3- YL]-PROPIONAMIDE | A,B | 1L1H | 0.74 | |
NCJ | 3,6-Bis{3-[(2R)-2-methylpiperidino)]propionamido}acridine | A,B | 3ERU | 0.74 | |
PBO | 1-PYRIDIN-3-YLBUTAN-1-ONE | A | 1PYJ | 0.75 | |
11X | N-(pyridin-3-ylmethyl)aniline | A | 3EJ0 | 0.72 | |
2PT | 1-[2-(ACRIDIN-9-YLAMINO)ETHYL]- 1,3-DIMETHYLTHIOUREA-PLATINUM(II)- ETHANE-1,2-DIAMINE | B | 1XRW | 0.71 | |
NCK | 3,6-Bis[3-(4-methylpiperidino)propionamido]acridine | A,B | 3ES0 | 0.74 | |
1SQ | ISOQUINOLIN-1-AMINE | A | 2OHK | 0.7 |