Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03188083
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 |
QUN | QUINACRINE | A,B | 1JQE | 0.78 | |
2PY | (2S)-1-{[5-(1H-INDAZOL-5-YL)PYRIDIN- 3-YL]OXY}-3-[(7AS)-7AH-INDOL-3- YL]PROPAN-2-AMINE | E | 2OH0 | 0.73 | |
253 | 10,11-dimethoxy-4-methyldibenzo[c,f]- 2,7-naphthyridine-3,6-diamine | A | 2R7B | 0.72 | |
783 | 3-{5-[AMINO(IMINIO)METHYL]-1H-INDOL- 2-YL}-5-METHOXY-1,1'-BIPHENYL-2- OLATE | A | 1O2T | 0.71 | |
541 | (2R)-N-HYDROXY-2-[(3S)-3-METHYL- 3-{4-[(2-METHYLQUINOLIN-4-YL)METHOXY]PHENYL}- 2-OXOPYRROLIDIN-1-YL]PROPANAMIDE | A,B | 2FV5 | 0.73 | |
550 | methyl (1R,2S)-2-(hydroxycarbamoyl)- 1-{4-[(2-methylquinolin-4-yl)methoxy]benzyl}cyclopropanecarboxylate | A,B | 3EDZ | 0.71 | |
CR3 | 2-{5-[AMINO(IMINIO)METHYL]-1H-INDOL- 2-YL}-6-(CYCLOPENTYLOXY)BENZENOLATE | A | 1O2H | 0.7 | |
MFP | ((2-BROMO-4-METHYLPHENYL){6-[(4- {[(2R)-3-(DIMETHYLAMINO)-2-HYDROXYPROPYL]OXY}PHENYL)AMINO]PYRIMIDIN- 4-YL}AMINO)ACETONITRILE | A | 1H07 | 0.73 | |
B96 | 1-(5-TERT-BUTYL-2-P-TOLYL-2H-PYRAZOL- 3-YL)-3-[4-(2-MORPHOLIN-4-YL-ETHOXY)- NAPHTHALEN-1-YL]-UREA | A | 3FZS | 0.71 | |
B96 | 1-(5-TERT-BUTYL-2-P-TOLYL-2H-PYRAZOL- 3-YL)-3-[4-(2-MORPHOLIN-4-YL-ETHOXY)- NAPHTHALEN-1-YL]-UREA | A | 1KV2 | 0.71 | |
T4B | A | 2NNQ | 0.71 | ||
MQ1 | 5-(4-METHOXYPHENOXY)-2,4-QUINAZOLINEDIAMINE | A,B | 1M79 | 0.72 | |
SS5 | (2S)-1-[3-(CYCLOHEXYLMETHOXY)PHENYL]- 3-{[5-(3-METHYL-1H-INDAZOL-5-YL)PYRIDIN- 3-YL]OXY}PROPAN-2-AMINE | A | 2UZV | 0.76 | |
EI1 | 3-ETHYL-2-(4-HYDROXYPHENYL)-2H- INDAZOL-5-OL | A,B | 2QAB | 0.7 | |
AQ4 | [6,7-BIS(2-METHOXY-ETHOXY)QUINAZOLINE- 4-YL]-(3-ETHYNYLPHENYL)AMINE | A | 1M17 | 0.72 | |
W37 | N-(6-{[1-(4-BROMOPHENYL)ISOQUINOLIN- 6-YL]OXY}HEXYL)-N-METHYLPROP-2- EN-1-AMINE | A,B,C | 1O6H | 0.81 | |
R04 | (2E)-N-ALLYL-4-{[3-(4-BROMOPHENYL)- 5-FLUORO-1-METHYL-1H-INDAZOL-6- YL]OXY}-N-METHYL-2-BUTEN-1-AMINE | A,B,C | 1H3A | 0.76 | |
615 | (1R,2S)-N~2~-hydroxy-1-{4-[(2-phenylquinolin- 4-yl)methoxy]benzyl}cyclopropane- 1,2-dicarboxamide | A,B | 3E8R | 0.73 | |
A4L | 9-[(5-(ACETYLAMINO)-6-{[(1S,4R)- 8-AMINO-4-[((2R)-6-AMINO-2-{2-[(1S)- 5-AMINO-1-FORMYLPENTYL]HYDRAZINO}HEXANOYL)AMINO]- 1-(4-AMINOBUTYL)-2,3-DIOXOOCTYL]AMINO}- 6-OXOHEXYL)AMINO]-6-CHLORO-2-METHOXYACRIDINIUM | A,B | 1XCS | 0.71 | |
SS4 | 3-PYRIDIN-4-YL-2,4-DIHYDRO-INDENO[1,2- .C.] PYRAZOLE | E | 2UZW | 0.81 | |
COG | 2,4-DIAMINO-6-[N-(2',5'-DIMETHOXYBENZYL)- N-METHYLAMINO]QUINAZOLINE | A | 1LY3 | 0.75 | |
KIN | 1-[4-(PYRIDIN-4-YLOXY)PHENYL]-3- [3-(TRIFLUOROMETHYL)PHENYL]UREA | A | 2HZN | 0.7 | |
L20 | (2S)-1-(1H-INDOL-3-YL)-3-{[5-(3- METHYL-1H-INDAZOL-5-YL)PYRIDIN- 3-YL]OXY}PROPAN-2-AMINE | A | 2JDS | 0.74 | |
L20 | (2S)-1-(1H-INDOL-3-YL)-3-{[5-(3- METHYL-1H-INDAZOL-5-YL)PYRIDIN- 3-YL]OXY}PROPAN-2-AMINE | A | 2JDR | 0.74 | |
L20 | (2S)-1-(1H-INDOL-3-YL)-3-{[5-(3- METHYL-1H-INDAZOL-5-YL)PYRIDIN- 3-YL]OXY}PROPAN-2-AMINE | A | 2JDV | 0.74 | |
L20 | (2S)-1-(1H-INDOL-3-YL)-3-{[5-(3- METHYL-1H-INDAZOL-5-YL)PYRIDIN- 3-YL]OXY}PROPAN-2-AMINE | E | 2UZU | 0.74 | |
RO0 | 1-(3,4-DIMETHOXYBENZYL)-6,7-DIMETHOXY- 4-{[4-(2-METHOXYPHENYL)PIPERIDIN- 1-YL]METHYL}ISOQUINOLINE | A | 2FVJ | 0.71 | |
7IP | 6-[2-(3'-METHOXYBIPHENYL-3-YL)ETHYL]PYRIDIN- 2-AMINE | A | 2OHQ | 0.73 | |
I48 | N-{3-METHYL-5-[2-(PYRIDIN-4-YLAMINO)- ETHOXY]-PHENYL}-BENZENESULFONAMIDE | H | 1UVT | 0.7 | |
P13 | N-[2-(3-AMINOPROPOXY)-5-(1H-INDOL- 5-YL)BENZYL]-N-(2-PIPERAZIN-1-YLETHYL)AMINE | B | 1UTS | 0.71 | |
SS3 | (2S)-1-{[5-(3-METHYL-1H-INDAZOL- 5-YL)PYRIDIN-3-YL]OXY}-3-PHENYLPROPAN- 2-AMINE | A | 2UZT | 0.77 | |
CQA | 4-[(7-CHLOROQUINOLIN-4-YL)AMINO]- 2-[(DIETHYLAMINO)METHYL]PHENOL | A,B | 2AOU | 0.71 | |
2EA | (1S)-2-(1H-INDOL-3-YL)-1-{[(5-ISOQUINOLIN- 6-YLPYRIDIN-3-YL)OXY]METHYL}ETHYLAMINE | E | 2F7E | 0.72 | |
R03 | ALLYL-{6-[3-(4-BROMO-PHENYL)-1- METHYL-1H-INDAZOL-6-YL]OXY}HEXYL)- N-METHYLAMINE | A,B,C | 1H39 | 0.77 | |
DTQ | 4-[3-HYDROXYANILINO]-6,7-DIMETHOXYQUINAZOLINE | A | 1DI8 | 0.7 | |
DD1 | 5-{[1-(2-fluorobenzyl)piperidin- 4-yl]methoxy}quinazoline-2,4-diamine | A | 3BL7 | 0.72 | |
MFQ | ((2-BROMO-4-METHYLPHENYL){6-[(4- {[(2S)-3-(DIMETHYLAMINO)-2-HYDROXYPROPYL]OXY}PHENYL)AMINO]PYRIMIDIN- 4-YL}AMINO)ACETONITRILE | A | 1H07 | 0.73 | |
4EA | (1S)-2-(1H-INDOL-3-YL)-1-[({5-[(E)- 2-PYRIDIN-4-YLVINYL]PYRIDIN-3-YL}OXY)METHYL]ETHYLAMINE | E | 2F7X | 0.7 |