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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00209453

You can sort the columns by Ligand, Ligand name, PDB and Tanimoto.


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
IOGN-[(1R)-3-(4-HYDROXYPHENYL)-1-METHYLPROPYL]-
2-[2-PHENYL-6-(2-PIPERIDIN-1-YLETHOXY)-
1H-INDOL-3-YL]ACETAMIDE		A2IOG0.71
RO01-(3,4-DIMETHOXYBENZYL)-6,7-DIMETHOXY-
4-{[4-(2-METHOXYPHENYL)PIPERIDIN-
1-YL]METHYL}ISOQUINOLINE		A2FVJ0.72
900N-(4-chlorophenyl)-6-[(6,7-dimethoxyquinolin-
4-yl)oxy]naphthalene-1-carboxamide		A,B3B8Q0.75
IMS2-[1-(4-CHLOROBENZOYL)-5-METHOXY-
2-METHYL-1H-INDOL-3-YL]-N-[(1S)-
1-(HYDROXYMETHYL)PROPYL]ACETAMIDE		P2OYU0.71
IM82-[1-(4-CHLOROBENZOYL)-5-METHOXY-
2-METHYL-1H-INDOL-3-YL]-N-[(1R)-
1-(HYDROXYMETHYL)PROPYL]ACETAMIDE		P2OYE0.71
DEH2,9-dihydroxy-3,10-dimethoxy-5,6-
dihydroisoquino[3,2-a]isoquinolinium		A3GSY0.76
BERBERBERINEA3D6Y0.71
BERBERBERINEA,B,D,E1JUM0.71
BERBERBERINEA,B,D,E3BTI0.71
BERBERBERINEA2QVD0.71
DD35-[(1S)-1-(3-chlorophenyl)ethoxy]quinazoline-
2,4-diamine		A,B3BLA0.75
9912-{5-[AMINO(IMINIO)METHYL]-6-CHLORO-
1H-INDOL-2-YL}-6-(CYCLOPENTYLOXY)BENZENOLATE		A1O2Q0.73
H8HN-(5-CHLORO-1,3-BENZODIOXOL-4-YL)-
7-[2-(4-METHYLPIPERAZIN-1-YL)ETHOXY]-
5-(TETRAHYDRO-2H-PYRAN-4-YLOXY)QUINAZOLIN-
4-AMINE		A2H8H0.73
447N-(4-{[6-methoxy-7-(3-morpholin-
4-ylpropoxy)quinazolin-4-yl]amino}phenyl)benzamide		A,B2VRX0.74
FBL(2S)-1-[4-({4-[(2,5-DICHLOROPHENYL)AMINO]PYRIMIDIN-
2-YL}AMINO)PHENOXY]-3-(DIMETHYLAMINO)PROPAN-
2-OL		A1H010.71
CQA4-[(7-CHLOROQUINOLIN-4-YL)AMINO]-
2-[(DIETHYLAMINO)METHYL]PHENOL		A,B2AOU0.74
2CS3-[3-(TERT-BUTYLTHIO)-1-(4-CHLOROBENZYL)-
5-(QUINOLIN-2-YLMETHOXY)-1H-INDOL-
2-YL]-2,2-DIMETHYLPROPANOIC ACID		A,C,D,E2Q7M0.71
887N-cyclopropyl-6-[(6,7-dimethoxyquinolin-
4-yl)oxy]naphthalene-1-carboxamide		A,B3B8R0.71
Q4AN-(1-benzylpiperidin-4-yl)-6,7-
dimethoxy-2-(4-methyl-1,4-diazepan-
1-yl)quinazolin-4-amine		A,B3FPD0.76
7PC2-[4-(AMINOMETHYL)-2-CHLOROPHENOXY]-
5-PYRIDIN-2-YLPHENOL		A,B2OP00.77
PFE{4-[3-(6,7-DIETHOXY-QUINAZOLIN-
4-YLAMINO)-PHENYL]-THIAZOL-2-YL}-
METHANOL		A,F1KZ80.74
2276,7-DIMETHOXY-4-{8-[(4-METHYLPIPERAZIN-
1-YL)SULFONYL]-3,4-DIHYDROISOQUINOLIN-
2(1H)-YL}QUINAZOLINE		A2O8H0.7
7414-[[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		3F5P0.77
PFH6,7-DIMETHOXY-4-[(3R)-3-(2-NAPHTHYLOXY)PYRROLIDIN-
1-YL]QUINAZOLINE		A2OVV0.75
MSQ4-[3-METHYLSULFANYLANILINO]-6,7-
DIMETHOXYQUINAZOLINE		A1DI90.73
I1H3-[2-(2,4-DICHLOROPHENYL)ETHOXY]-
4-METHOXY-N-[(1-PYRIDIN-4-YLPIPERIDIN-
4-YL)METHYL]BENZAMIDE		B2BMG0.7
HPMN-{5-[(7-{[(2S)-2-HYDROXY-3-PIPERIDIN-
1-YLPROPYL]OXY}-6-METHOXYQUINAZOLIN-
4-YL)AMINO]PYRIMIDIN-2-YL}BENZAMIDE		A,B2C6E0.73
PFJ6,7-DIMETHOXY-4-[(3R)-3-(QUINOXALIN-
2-YLOXY)PYRROLIDIN-1-YL]QUINAZOLINE		A2OVY0.72
IRE3-CHLORO-4-FLUORO-N-[(4Z)-7-METHOXY-
6-(3-MORPHOLIN-4-YLPROPOXY)QUINAZOLIN-
4(1H)-YLIDENE]ANILINE		A2ITZ0.76
IRE3-CHLORO-4-FLUORO-N-[(4Z)-7-METHOXY-
6-(3-MORPHOLIN-4-YLPROPOXY)QUINAZOLIN-
4(1H)-YLIDENE]ANILINE		A2ITO0.76
IRE3-CHLORO-4-FLUORO-N-[(4Z)-7-METHOXY-
6-(3-MORPHOLIN-4-YLPROPOXY)QUINAZOLIN-
4(1H)-YLIDENE]ANILINE		A2ITY0.76
AQ4[6,7-BIS(2-METHOXY-ETHOXY)QUINAZOLINE-
4-YL]-(3-ETHYNYLPHENYL)AMINE		A1M170.77
7X1N-(5-chloro-1,3-benzodioxol-4-yl)-
6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazolin-
4-amine		A2VWU0.78
FAL(2R)-1-[4-({4-[(2,5-DICHLOROPHENYL)AMINO]PYRIMIDIN-
2-YL}AMINO)PHENOXY]-3-(DIMETHYLAMINO)PROPAN-
2-OL		A1H010.71
25310,11-dimethoxy-4-methyldibenzo[c,f]-
2,7-naphthyridine-3,6-diamine		A2R7B0.76
QQ2[(2-CHLORO-5-METHYLPHENYL){6-[(4-
{[(2R)-3-(DIMETHYLAMINO)-2-HYDROXYPROPYL]OXY}PHENYL)AMINO]PYRIMIDIN-
4-YL}AMINO]ACETONITRILE		A,B,C,D2IW60.73
8PC2-(2,4-DICHLOROPHENOXY)-5-(PYRIDIN-
2-YLMETHYL)PHENOL		A,B2OP10.75
8PC2-(2,4-DICHLOROPHENOXY)-5-(PYRIDIN-
2-YLMETHYL)PHENOL		A,B,C,D3FNE0.75
2RLN-(4-CHLOROPHENYL)-7-[(6,7-DIMETHOXYQUINOLIN-
4-YL)OXY]-2,3-DIHYDRO-1,4-BENZOXAZINE-
4-CARBOXAMIDE		A2RL50.82
QUNQUINACRINEA,B1JQE0.79
TMQTRIMETREXATEA,B,C,D3CLB0.71
TMQTRIMETREXATEA1BZF0.71
TMQTRIMETREXATEA,B,C,D3HBB0.71
DD15-{[1-(2-fluorobenzyl)piperidin-
4-yl]methoxy}quinazoline-2,4-diamine		A3BL70.74
DD25-{[1-(2,3-dichlorobenzyl)piperidin-
4-yl]methoxy}quinazoline-2,4-diamine		A3BL90.77
CAU(2S)-1-(9H-Carbazol-4-yloxy)-3-
(isopropylamino)propan-2-ol		A2RH10.72
61E4-(2-chlorophenyl)-8-[3-(dimethylamino)propoxy]-
9-hydroxy-6-methylpyrrolo[3,4-c]carbazole-
1,3(2H,6H)-dione		A3BIZ0.72
PVE(1S)-1-CARBOXY-5-[(3-CARBOXYPROPANOYL)AMINO]-
8,9-DIHYDROXY-1,2,3,4-TETRAHYDROPYRIMIDO[1,2-
A]QUINOLIN-11-IUM		A,B,C2W6T0.71
PVE(1S)-1-CARBOXY-5-[(3-CARBOXYPROPANOYL)AMINO]-
8,9-DIHYDROXY-1,2,3,4-TETRAHYDROPYRIMIDO[1,2-
A]QUINOLIN-11-IUM		A,B,C2W160.71
PVE(1S)-1-CARBOXY-5-[(3-CARBOXYPROPANOYL)AMINO]-
8,9-DIHYDROXY-1,2,3,4-TETRAHYDROPYRIMIDO[1,2-
A]QUINOLIN-11-IUM		A,B,C2W760.71
PVE(1S)-1-CARBOXY-5-[(3-CARBOXYPROPANOYL)AMINO]-
8,9-DIHYDROXY-1,2,3,4-TETRAHYDROPYRIMIDO[1,2-
A]QUINOLIN-11-IUM		A,B,C2W780.71
PVE(1S)-1-CARBOXY-5-[(3-CARBOXYPROPANOYL)AMINO]-
8,9-DIHYDROXY-1,2,3,4-TETRAHYDROPYRIMIDO[1,2-
A]QUINOLIN-11-IUM		A,B,C2W6U0.71
PVE(1S)-1-CARBOXY-5-[(3-CARBOXYPROPANOYL)AMINO]-
8,9-DIHYDROXY-1,2,3,4-TETRAHYDROPYRIMIDO[1,2-
A]QUINOLIN-11-IUM		A,B,C2W770.71
AQZN-(3-{[7-METHOXY-6-(2-PYRROLIDIN-
1-YLETHOXY)QUINAZOLIN-4-YL]AMINO}-
4-METHYLPHENYL)-2-MORPHOLIN-4-YLISONICOTINAMIDE		A2BAK0.72
MT45-{4-[(6,7-dimethoxyquinolin-4-
yl)oxy]-3-fluorophenyl}-2-[(4-fluorophenyl)amino]-
3-methylpyrimidin-4(3H)-one		A,B3EFK0.72
QUMQUINACRINE MUSTARDA,B1GXF0.72
COG2,4-DIAMINO-6-[N-(2',5'-DIMETHOXYBENZYL)-
N-METHYLAMINO]QUINAZOLINE		A1LY30.7
DTQ4-[3-HYDROXYANILINO]-6,7-DIMETHOXYQUINAZOLINEA1DI80.78