Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00223466
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 |
CAU | (2S)-1-(9H-Carbazol-4-yloxy)-3- (isopropylamino)propan-2-ol | A | 2RH1 | 0.71 | |
HQC | 3-{6-[(8-HYDROXY-QUINOLINE-2-CARBONYL)- AMINO]-2-THIOPHEN-2-YL-HEXANOYLAMINO}- 4-OXO-BUTYRI ACID | A | 1RWP | 0.72 | |
MSQ | 4-[3-METHYLSULFANYLANILINO]-6,7- DIMETHOXYQUINAZOLINE | A | 1DI9 | 0.77 | |
PFE | {4-[3-(6,7-DIETHOXY-QUINAZOLIN- 4-YLAMINO)-PHENYL]-THIAZOL-2-YL}- METHANOL | A,F | 1KZ8 | 0.77 | |
BER | BERBERINE | A | 3D6Y | 0.71 | |
BER | BERBERINE | A,B,D,E | 1JUM | 0.71 | |
BER | BERBERINE | A,B,D,E | 3BTI | 0.71 | |
BER | BERBERINE | A | 2QVD | 0.71 | |
253 | 10,11-dimethoxy-4-methyldibenzo[c,f]- 2,7-naphthyridine-3,6-diamine | A | 2R7B | 0.72 | |
QUN | QUINACRINE | A,B | 1JQE | 0.72 | |
GK1 | 4-{4-[(5-hydroxy-2-methylphenyl)amino]quinolin- 7-yl}-1,3-thiazole-2-carbaldehyde | A | 2ZAZ | 0.74 | |
741 | 4-[[3-chloro-4-(1-methylimidazol- 2-yl)sulfanyl-phenyl]amino]-7-[3- (2-hydroxyethyl-methyl-amino)propoxy]- 6-methoxy-quinoline-3-carbonitrile | A,B,C,D,E,F, G,H,I,J,K,L, M,R,S,T | 3F5P | 0.7 | |
Q4A | N-(1-benzylpiperidin-4-yl)-6,7- dimethoxy-2-(4-methyl-1,4-diazepan- 1-yl)quinazolin-4-amine | A,B | 3FPD | 0.71 | |
DTQ | 4-[3-HYDROXYANILINO]-6,7-DIMETHOXYQUINAZOLINE | A | 1DI8 | 0.71 | |
MT3 | 2-benzyl-5-{4-[(6,7-dimethoxyquinolin- 4-yl)oxy]-3-fluorophenyl}-3-methylpyrimidin- 4(3H)-one | A,B | 3EFJ | 0.7 | |
642 | (1S,3R,6S)-4-oxo-6-{4-[(2-phenylquinolin- 4-yl)methoxy]phenyl}-5-azaspiro[2.4]heptane- 1-carboxylic acid | A,B | 3EWJ | 0.71 | |
887 | N-cyclopropyl-6-[(6,7-dimethoxyquinolin- 4-yl)oxy]naphthalene-1-carboxamide | A,B | 3B8R | 0.73 | |
DEH | 2,9-dihydroxy-3,10-dimethoxy-5,6- dihydroisoquino[3,2-a]isoquinolinium | A | 3GSY | 0.7 | |
ML2 | N-[2-(2-iodo-5-methoxy-1H-indol- 3-yl)ethyl]acetamide | A,B | 2QX9 | 0.75 | |
ML2 | N-[2-(2-iodo-5-methoxy-1H-indol- 3-yl)ethyl]acetamide | A,B | 2QX8 | 0.75 | |
HRM | 7-METHOXY-1-METHYL-9H-BETA-CARBOLINE | A | 2Z5X | 0.71 | |
HRM | 7-METHOXY-1-METHYL-9H-BETA-CARBOLINE | A | 2Z5Y | 0.71 | |
M98 | (S)-3-(2-(3-CYCLOPROPOXY-4-(DIFLUOROMETHOXY)PHENYL)- 2-(5-(1,1,1,3,3,3-HEXAFLUORO-2- HYDROXYPROPAN-2-YL)THIAZOL-2-YL)ETHYL)PYRIDINE 1- OXIDE | A,B,C,D | 2FM0 | 0.7 | |
EMD | 5-[1-(3,4-DIMETHOXY-BENZOYL)-1,2,3,4- TETRAHYDRO-QUINOLIN-6-YL]-6-METHYL- 3,6-DIHYDRO-[1,3,4]THIADIAZIN-2- ONE | A | 1IH0 | 0.7 | |
ML1 | N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide | A,B | 2QX4 | 0.74 | |
ML1 | N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide | A,B | 2QX6 | 0.74 | |
ML1 | N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide | A,B | 2QWX | 0.74 | |
AI3 | 2,3-DIMETHOXY-12H-[1,3]DIOXOLO[5,6]INDENO[1,2- C]ISOQUINOLIN-6-IUM | A,C,D | 1TL8 | 0.7 | |
M99 | (R)-3-(2-(3-CYCLOPROPOXY-4-(DIFLUOROMETHOXY)PHENYL)- 2-(5-(1,1,1,3,3,3-HEXAFLUORO-2- HYDROXYPROPAN-2-YL)THIAZOL-2-YL)ETHYL)PYRIDINE 1- OXIDE | A,B,C,D | 2FM5 | 0.7 | |
CIA | 6-BENZO[1,3]DIOXOL-5-YL-2-METHYL- 2,3,6,7,12,12A-HEXAHYDRO-PYRAZINO[1',2':1,6]PYRIDO[3,4- B]INDOLE-1,4-DIONE | A,B | 1UDU | 0.73 | |
CIA | 6-BENZO[1,3]DIOXOL-5-YL-2-METHYL- 2,3,6,7,12,12A-HEXAHYDRO-PYRAZINO[1',2':1,6]PYRIDO[3,4- B]INDOLE-1,4-DIONE | A | 1XOZ | 0.73 | |
541 | (2R)-N-HYDROXY-2-[(3S)-3-METHYL- 3-{4-[(2-METHYLQUINOLIN-4-YL)METHOXY]PHENYL}- 2-OXOPYRROLIDIN-1-YL]PROPANAMIDE | A,B | 2FV5 | 0.71 |