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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00434388

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
DD25-{[1-(2,3-dichlorobenzyl)piperidin-
4-yl]methoxy}quinazoline-2,4-diamine		A3BL90.71
53R5-[(3R)-3-(5-methoxybiphenyl-3-
yl)but-1-yn-1-yl]-6-methylpyrimidine-
2,4-diamine		X3F0B0.71
53R5-[(3R)-3-(5-methoxybiphenyl-3-
yl)but-1-yn-1-yl]-6-methylpyrimidine-
2,4-diamine		X3F0U0.71
FBQ1-[3-({[(4-AMINO-5-FLUORO-2-METHYLQUINOLIN-
3-YL)METHYL]THIO}METHYL)PHENYL]-
2,2,2-TRIFLUOROETHANE-1,1-DIOL		A1HBJ0.71
9HP9-(4-HYDROXYPHENYL)-2,7-PHENANTHROLINEA1PMU0.74
HRM7-METHOXY-1-METHYL-9H-BETA-CARBOLINEA2Z5X0.72
HRM7-METHOXY-1-METHYL-9H-BETA-CARBOLINEA2Z5Y0.72
DEH2,9-dihydroxy-3,10-dimethoxy-5,6-
dihydroisoquino[3,2-a]isoquinolinium		A3GSY0.71
DD35-[(1S)-1-(3-chlorophenyl)ethoxy]quinazoline-
2,4-diamine		A,B3BLA0.74
W37N-(6-{[1-(4-BROMOPHENYL)ISOQUINOLIN-
6-YL]OXY}HEXYL)-N-METHYLPROP-2-
EN-1-AMINE		A,B,C1O6H0.77
541(2R)-N-HYDROXY-2-[(3S)-3-METHYL-
3-{4-[(2-METHYLQUINOLIN-4-YL)METHOXY]PHENYL}-
2-OXOPYRROLIDIN-1-YL]PROPANAMIDE		A,B2FV50.75
IP7N~3~-[5-(1H-INDOL-6-YL)-2-(PYRIDIN-
2-YLMETHOXY)BENZYL]PYRIDINE-2,3-
DIAMINE		A2OHU0.71
BERBERBERINEA3D6Y0.71
BERBERBERINEA,B,D,E1JUM0.71
BERBERBERINEA,B,D,E3BTI0.71
BERBERBERINEA2QVD0.71
A4L9-[(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,B1XCS0.72
P13N-[2-(3-AMINOPROPOXY)-5-(1H-INDOL-
5-YL)BENZYL]-N-(2-PIPERAZIN-1-YLETHYL)AMINE		B1UTS0.78
SS5(2S)-1-[3-(CYCLOHEXYLMETHOXY)PHENYL]-
3-{[5-(3-METHYL-1H-INDAZOL-5-YL)PYRIDIN-
3-YL]OXY}PROPAN-2-AMINE		A2UZV0.8
CR32-{5-[AMINO(IMINIO)METHYL]-1H-INDOL-
2-YL}-6-(CYCLOPENTYLOXY)BENZENOLATE		A1O2H0.74
1346-FLUORO-2-[2-HYDROXY-3-(2-METHYL-
CYCLOHEXYLOXY)-PHENYL]-1H-INDOLE-
5-CARBOXAMIDINE		B1GJ90.71
CQA4-[(7-CHLOROQUINOLIN-4-YL)AMINO]-
2-[(DIETHYLAMINO)METHYL]PHENOL		A,B2AOU0.74
615(1R,2S)-N~2~-hydroxy-1-{4-[(2-phenylquinolin-
4-yl)methoxy]benzyl}cyclopropane-
1,2-dicarboxamide		A,B3E8R0.76
896N-ETHYL-N-ISOPROPYL-3-METHYL-5-
{[(2S)-2-(PYRIDIN-4-YLAMINO)PROPYL]OXY}BENZAMIDE		B,H2UUJ0.72
PRDN6-(2,5-DIMETHOXY-BENZYL)-N6-METHYL-
PYRIDO[2,3-D]PYRIMIDINE-2,4,6-TRIAMINE		A1BOZ0.7
8067-[[2-[[1-(1-IMINOETHYL)PIPERIDIN-
4-YL]OXY]-9H-CARBOZOL-9-YL]METHYL]NAPHTHALENE-
2-CARBOXIMIDAMID		A1QB90.73
AK81-[3-methyl-4-({3-[2-(methylamino)pyrimidin-
4-yl]pyridin-2-yl}oxy)phenyl]-3-
[3-(trifluoromethyl)phenyl]urea		A,B3EFW0.71
PRLPROFLAVINH,I1BCU0.7
PRLPROFLAVINA,B,D,E1QVT0.7
PRLPROFLAVINA,B2KD40.7
PRLPROFLAVINA1QVU0.7
6EA(1S)-1-(1H-INDOL-3-YLMETHYL)-2-
(2-PYRIDIN-4-YL-[1,7]NAPHTYRIDIN-
5-YLOXY)-EHYLAMINE		E2F7Z0.72
DD15-{[1-(2-fluorobenzyl)piperidin-
4-yl]methoxy}quinazoline-2,4-diamine		A3BL70.76
ROSN,N'-TETRAMETHYL-ROSAMINEA1F1T0.71
FLDBIS-(N-ETHYLPYRIDINIUM-(3-METHOXYCARBAZOLE))HEXANE-
1,6-DIAMINE		A,B154D0.7
25310,11-dimethoxy-4-methyldibenzo[c,f]-
2,7-naphthyridine-3,6-diamine		A2R7B0.75
65B4-({6-AMINO-5-BROMO-2-[(4-CYANOPHENYL)AMINO]PYRIMIDIN-
4-YL}OXY)-3,5-DIMETHYLBENZONITRILE		A1SV50.7
BI54-PHENOXY-N-(PYRIDIN-2-YLMETHYL)BENZAMIDEA1ZYJ0.7
QUMQUINACRINE MUSTARDA,B1GXF0.71
COG2,4-DIAMINO-6-[N-(2',5'-DIMETHOXYBENZYL)-
N-METHYLAMINO]QUINAZOLINE		A1LY30.76
EZR3-methoxy-4-{3-[4-(4-methylpiperazin-
1-yl)-1H-benzimidazol-2-yl]-1H-
indazol-6-yl}aniline		A3EZR0.71
L20(2S)-1-(1H-INDOL-3-YL)-3-{[5-(3-
METHYL-1H-INDAZOL-5-YL)PYRIDIN-
3-YL]OXY}PROPAN-2-AMINE		A2JDS0.79
L20(2S)-1-(1H-INDOL-3-YL)-3-{[5-(3-
METHYL-1H-INDAZOL-5-YL)PYRIDIN-
3-YL]OXY}PROPAN-2-AMINE		A2JDR0.79
L20(2S)-1-(1H-INDOL-3-YL)-3-{[5-(3-
METHYL-1H-INDAZOL-5-YL)PYRIDIN-
3-YL]OXY}PROPAN-2-AMINE		A2JDV0.79
L20(2S)-1-(1H-INDOL-3-YL)-3-{[5-(3-
METHYL-1H-INDAZOL-5-YL)PYRIDIN-
3-YL]OXY}PROPAN-2-AMINE		E2UZU0.79
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,C1H3A0.74
RO01-(3,4-DIMETHOXYBENZYL)-6,7-DIMETHOXY-
4-{[4-(2-METHOXYPHENYL)PIPERIDIN-
1-YL]METHYL}ISOQUINOLINE		A2FVJ0.73
642(1S,3R,6S)-4-oxo-6-{4-[(2-phenylquinolin-
4-yl)methoxy]phenyl}-5-azaspiro[2.4]heptane-
1-carboxylic acid		A,B3EWJ0.71
AQ4[6,7-BIS(2-METHOXY-ETHOXY)QUINAZOLINE-
4-YL]-(3-ETHYNYLPHENYL)AMINE		A1M170.72
4EA(1S)-2-(1H-INDOL-3-YL)-1-[({5-[(E)-
2-PYRIDIN-4-YLVINYL]PYRIDIN-3-YL}OXY)METHYL]ETHYLAMINE		E2F7X0.74
I48N-{3-METHYL-5-[2-(PYRIDIN-4-YLAMINO)-
ETHOXY]-PHENYL}-BENZENESULFONAMIDE		H1UVT0.72
LI43-(1-NAPHTHYLMETHOXY)PYRIDIN-2-
AMINE		A1WBW0.74
897N-[3-(TERT-BUTYLAMINO)-3-OXOPROPYL]-
N-ISOPROPYL-3-METHYL-5-{[(2S)-2-
(PYRIDIN-4-YLAMINO)PROPYL]OXY}BENZAMIDE		B,H2UUK0.7
B961-(5-TERT-BUTYL-2-P-TOLYL-2H-PYRAZOL-
3-YL)-3-[4-(2-MORPHOLIN-4-YL-ETHOXY)-
NAPHTHALEN-1-YL]-UREA		A3FZS0.73
B961-(5-TERT-BUTYL-2-P-TOLYL-2H-PYRAZOL-
3-YL)-3-[4-(2-MORPHOLIN-4-YL-ETHOXY)-
NAPHTHALEN-1-YL]-UREA		A1KV20.73
QUNQUINACRINEA,B1JQE0.81
T4BA2NNQ0.74
KIN1-[4-(PYRIDIN-4-YLOXY)PHENYL]-3-
[3-(TRIFLUOROMETHYL)PHENYL]UREA		A2HZN0.72
TMQTRIMETREXATEA,B,C,D3CLB0.71
TMQTRIMETREXATEA1BZF0.71
TMQTRIMETREXATEA,B,C,D3HBB0.71
4PY(2S)-1-(6H-INDOL-3-YL)-3-{[5-(7H-
PYRAZOLO[3,4-C]PYRIDIN-5-YL)PYRIDIN-
3-YL]OXY}PROPAN-2-AMINE		E2OJF0.7
4JZ1-[5-tert-butyl-2-(4-methylphenyl)-
1,2-dihydro-3H-pyrazol-3-ylidene]-
3-{3-[(pyridin-3-yloxy)methyl]-
1H-pyrazol-5-yl}urea		A3FZT0.71
5IG6-(2,4-DIAMINO-6-ETHYLPYRIMIDIN-
5-YL)-4-(3-METHOXYPROPYL)-2,2-DIMETHYL-
2H-1,4-BENZOXAZIN-3(4H)-ONE		A,B2G1Y0.7
CAU(2S)-1-(9H-Carbazol-4-yloxy)-3-
(isopropylamino)propan-2-ol		A2RH10.72
11F5-[(3S)-3-(2-methoxybiphenyl-4-
yl)but-1-yn-1-yl]-6-methylpyrimidine-
2,4-diamine		A3FQV0.71
11F5-[(3S)-3-(2-methoxybiphenyl-4-
yl)but-1-yn-1-yl]-6-methylpyrimidine-
2,4-diamine		A3FQZ0.71
R03ALLYL-{6-[3-(4-BROMO-PHENYL)-1-
METHYL-1H-INDAZOL-6-YL]OXY}HEXYL)-
N-METHYLAMINE		A,B,C1H390.75
2EA(1S)-2-(1H-INDOL-3-YL)-1-{[(5-ISOQUINOLIN-
6-YLPYRIDIN-3-YL)OXY]METHYL}ETHYLAMINE		E2F7E0.77
ML1N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamideA,B2QX40.7
ML1N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamideA,B2QX60.7
ML1N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamideA,B2QWX0.7
HQO2-HEPTYL-4-HYDROXY QUINOLINE N-
OXIDE		A,B,C1KQG0.73
HQO2-HEPTYL-4-HYDROXY QUINOLINE N-
OXIDE		A,B,C,D,E,F2VR00.73
HQO2-HEPTYL-4-HYDROXY QUINOLINE N-
OXIDE		A,B,C,M,N,O,P1KF60.73
6963-{5-[AMINO(IMINIO)METHYL]-1H-INDOL-
2-YL}-1,1'-BIPHENYL-2-OLATE		A1O3G0.71
6963-{5-[AMINO(IMINIO)METHYL]-1H-INDOL-
2-YL}-1,1'-BIPHENYL-2-OLATE		A1O3E0.71
6963-{5-[AMINO(IMINIO)METHYL]-1H-INDOL-
2-YL}-1,1'-BIPHENYL-2-OLATE		H,I1O2G0.71
6963-{5-[AMINO(IMINIO)METHYL]-1H-INDOL-
2-YL}-1,1'-BIPHENYL-2-OLATE		B1O5A0.71
6963-{5-[AMINO(IMINIO)METHYL]-1H-INDOL-
2-YL}-1,1'-BIPHENYL-2-OLATE		A1O3F0.71
7833-{5-[AMINO(IMINIO)METHYL]-1H-INDOL-
2-YL}-5-METHOXY-1,1'-BIPHENYL-2-
OLATE		A1O2T0.74
MQ15-(4-METHOXYPHENOXY)-2,4-QUINAZOLINEDIAMINEA,B1M790.76
SS43-PYRIDIN-4-YL-2,4-DIHYDRO-INDENO[1,2-
.C.] PYRAZOLE		E2UZW0.8
L5G7-methoxy-4-[(6-phenyl[1,2,4]triazolo[4,3-
b]pyridazin-3-yl)methoxy]quinoline		A3CD80.72
QNO2-NONYL-4-HYDROXYQUINOLINE N-OXIDEC,D,E1NU10.73
QNO2-NONYL-4-HYDROXYQUINOLINE N-OXIDEA,B,C,D,G2E750.73
DTQ4-[3-HYDROXYANILINO]-6,7-DIMETHOXYQUINAZOLINEA1DI80.7
550methyl (1R,2S)-2-(hydroxycarbamoyl)-
1-{4-[(2-methylquinolin-4-yl)methoxy]benzyl}cyclopropanecarboxylate		A,B3EDZ0.75
SS3(2S)-1-{[5-(3-METHYL-1H-INDAZOL-
5-YL)PYRIDIN-3-YL]OXY}-3-PHENYLPROPAN-
2-AMINE		A2UZT0.84
9IPN~3~-[3-(5-METHOXYPYRIDIN-3-YL)BENZYL]PYRIDINE-
2,3-DIAMINE		A2OHS0.71
3IP3-(BENZYLOXY)PYRIDIN-2-AMINEA1W7H0.71
EI13-ETHYL-2-(4-HYDROXYPHENYL)-2H-
INDAZOL-5-OL		A,B2QAB0.71
7IP6-[2-(3'-METHOXYBIPHENYL-3-YL)ETHYL]PYRIDIN-
2-AMINE		A2OHQ0.78
2PY(2S)-1-{[5-(1H-INDAZOL-5-YL)PYRIDIN-
3-YL]OXY}-3-[(7AS)-7AH-INDOL-3-
YL]PROPAN-2-AMINE		E2OH00.79