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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01337163

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
5803-(4-FLUOROPHENYL)-2-(6-METHYLPYRIDIN-
2-YL)-5,6-DIHYDRO-4H-PYRROLO[1,2-
B]PYRAZOLE
A1RW80.73
4223-(5-{[4-(AMINOMETHYL)PIPERIDIN-
1-YL]METHYL}-1H-INDOL-2-YL)-1H-
INDAZOLE-6-CARBONITRILE
A2HXL0.74
LZ11H-indazoleA,B3E6I0.75
LZ11H-indazoleA2VTA0.75
FRZ5-(2-PHENYLPYRAZOLO[1,5-A]PYRIDIN-
3-YL)-1H-PYRAZOLO[3,4-C]PYRIDAZIN-
3-AMINE
A1TVO0.72
2MI2-METHYL-1H-INDOLEA2PIO0.7
CEL4-[5-(4-METHYLPHENYL)-3-(TRIFLUOROMETHYL)-
1H-PYRAZOL-1-YL]BENZENESULFONAMIDE
A1OQ50.73
F11N,N'-DI-1,2,3,4-TETRAHYDROACRIDIN-
9-YLPENTANE-1,5-DIAMINE
A2CMF0.71
LL13-pyridin-4-yl-1H-indazoleA3DNE0.77
2PT1-[2-(ACRIDIN-9-YLAMINO)ETHYL]-
1,3-DIMETHYLTHIOUREA-PLATINUM(II)-
ETHANE-1,2-DIAMINE
B1XRW0.73
5825-ETHYL-3-METHYL-1,5-DIHYDRO-4H-
PYRAZOLO[4,3-C]QUINOLIN-4-ONE
A2QHN0.73
PY14-(3-PYRIDIN-2-YL-1H-PYRAZOL-4-
YL)QUINOLINE
A1PY50.75
1AU1-[1-(3-aminophenyl)-3-tert-butyl-
1H-pyrazol-5-yl]-3-naphthalen-1-
ylurea
A3F3T0.73
QPPN-(5-METHYL-1H-PYRAZOL-3-YL)-2-
PHENYLQUINAZOLIN-4-AMINE
A,C2JC60.72
5372,6-DIHYDROANTHRA/1,9-CD/PYRAZOL-
6-ONE
A1UKI0.72
5372,6-DIHYDROANTHRA/1,9-CD/PYRAZOL-
6-ONE
A1PMV0.72
5372,6-DIHYDROANTHRA/1,9-CD/PYRAZOL-
6-ONE
A2ZMD0.72
UN3(2-METHYL-5-PHENYL-2H-PYRAZOL-3-
YL)-SULFAMIC ACID
A2F6W0.73
GVN(2R)-2-(4-CHLOROPHENYL)-2-[4-(1H-
PYRAZOL-4-YL)PHENYL]ETHANAMINE
A2UW50.71
MM0N,N'-(dibenzo[b,j][1,7]phenanthroline-
2,10-diyldimethanediyl)dipropan-
1-amine
B2JWQ0.7
GVP4-(4-CHLOROPHENYL)-4-[4-(1H-PYRAZOL-
4-YL)PHENYL]PIPERIDINE
A2UW90.74
GVP4-(4-CHLOROPHENYL)-4-[4-(1H-PYRAZOL-
4-YL)PHENYL]PIPERIDINE
A2UW70.74
ZAT4,4'-DIACETYLDIPHENYLUREA-BIS(GUANYLHYDRAZONE)A2W0J0.7
R204-(3-METHYLPHENYL)-1H-1,2,3-TRIAZOLEA2ADU0.71
1AW1-[1-(3-aminophenyl)-3-tert-butyl-
1H-pyrazol-5-yl]-3-phenylurea
A,B3F3U0.71
L024-[3-(4-CHLOROPHENYL)-1H-PYRAZOL-
5-YL]PIPERIDINE
B,I1WAY0.8
DSM3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N-METHYLPROPAN-1-AMINE
A2QJU0.7
DSM3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N-METHYLPROPAN-1-AMINE
A2QB40.7
5B25-phenyl-1H-indazol-3-amineA3E630.78
SM5(1E)-5-(1-piperidin-4-yl-3-pyridin-
4-yl-1H-pyrazol-4-yl)-2,3-dihydro-
1H-inden-1-one oxime
A,B3D4Q0.72
GG54-[3-(4-FLUOROPHENYL)-1H-PYRAZOL-
4-YL]PYRIDINE
A3HVC0.77
22M2-(2-METHYLPHENYL)-1H-INDOLE-6-
CARBOXIMIDAMIDE
A2G5V0.72
7609-(3-PHENYLMETHYLAMINO)-1,2,3,4-
TETRAHYDROACRIDINE
A1DX40.73
9CA9H-CARBAZOLEA,B,C,D,E,F2DE70.71
MI22-(2-METHYLPHENYL)-1H-INDOLE-5-
CARBOXIMIDAMIDE
A2G8T0.72
5CP[4-({4-[(5-cyclopropyl-1H-pyrazol-
3-yl)amino]-6-(methylamino)pyrimidin-
2-yl}amino)phenyl]acetonitrile
A,B3BHH0.71
D312-(4-(AMINOMETHYL)PIPERIDIN-1-YL)-
N-(3_CYCLOHEXYL-4-OXO-2,4-DIHYDROINDENO[1,2-
C]PYRAZOL-5-YL)ACETAMIDE
A2B550.72
I409-(3-IODOBENZYLAMINO)-1,2,3,4-TETRAHYDROACRIDINEA1QON0.71
5B34-(3-amino-1H-indazol-5-yl)-N-tert-
butylbenzenesulfonamide
A3E640.72
23M2-(3-METHYLPHENYL)-1H-INDOLE-5-
CARBOXIMIDAMIDE
A2G5N0.7
A8NN-9-(1',2',3',4'-TETRAHYDROACRIDINYL)-
1,8-DIAMINOOCTANE
A1UT60.74
P831-(9-ethyl-9H-carbazol-3-yl)-N-
methylmethanamine
A,B2VUK0.71
GVO(2S)-2-(4-CHLOROPHENYL)-2-[4-(1H-
PYRAZOL-4-YL)PHENYL]ETHANAMINE
A2UW60.71
MQ0(3-AMINOMETHYL-CINNOLIN-4-YL)-(3,3-
DIPHENYL-ALLYLIDENE)-AMINE
A,B,C3STD0.73
VC33-(4-nitrophenyl)-1H-pyrazoleA,B,C,D2VCZ0.73
L152-[4-(3-METHYL-1H-PYRAZOL-4-YL)PHENYL]ETHANAMINEA2UW40.79
LIG3-PYRIDIN-4-YL-2,4-DIHYDRO-INDENO[1,2-
.C.]PYRAZOLE
P1JVP0.76
AA7N,N'-DI-1,2,3,4-TETRAHYDROACRIDIN-
9-YLHEPTANE-1,7-DIAMINE
A2CKM0.7
292N-(3-CYCLOPROPYL-1H-PYRAZOL-5-YL)-
2-(2-NAPHTHYL)ACETAMIDE
A,C,D1VYW0.72
GVG3-METHYL-4-PHENYL-1H-PYRAZOLEA2UW30.79