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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02546067

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
PRM3,8-DIAMINO-5[3-(DIETHYLMETHYLAMMONIO)PROPYL]-
6-PHENYLPHENANTHRIDINIUM
A,B1N5R0.7
D26PHENYL-5-(1H-PYRAZOL-3-YL)-1,3-
THIAZOLE
A,B,C,D2VCX0.73
LL13-pyridin-4-yl-1H-indazoleA3DNE0.78
NOWNalpha-[(3-tert-butyl-1-methyl-
1H-pyrazol-5-yl)carbonyl]-N-[(2Z)-
2-iminoethyl]-3-methyl-L-phenylalaninamide
A,B,C,D3HHA0.73
PY14-(3-PYRIDIN-2-YL-1H-PYRAZOL-4-
YL)QUINOLINE
A1PY50.74
5IQISOQUINOLIN-5-AMINEA,B2F2T0.71
2MI2-METHYL-1H-INDOLEA2PIO0.72
LIG3-PYRIDIN-4-YL-2,4-DIHYDRO-INDENO[1,2-
.C.]PYRAZOLE
P1JVP0.75
P442-(CYCLOHEXYLMETHYLAMINO)-4-(PHENYLAMINO)PYRAZOLO[1,5-
A][1,3,5]TRIAZINE-8-CARBONITRILE
A2PVJ0.71
CEL4-[5-(4-METHYLPHENYL)-3-(TRIFLUOROMETHYL)-
1H-PYRAZOL-1-YL]BENZENESULFONAMIDE
A1OQ50.74
A8NN-9-(1',2',3',4'-TETRAHYDROACRIDINYL)-
1,8-DIAMINOOCTANE
A1UT60.71
IDMINDOLINEA,B3CEP0.71
IDMINDOLINEA1AEK0.71
7609-(3-PHENYLMETHYLAMINO)-1,2,3,4-
TETRAHYDROACRIDINE
A1DX40.71
FRZ5-(2-PHENYLPYRAZOLO[1,5-A]PYRIDIN-
3-YL)-1H-PYRAZOLO[3,4-C]PYRIDAZIN-
3-AMINE
A1TVO0.74
1AU1-[1-(3-aminophenyl)-3-tert-butyl-
1H-pyrazol-5-yl]-3-naphthalen-1-
ylurea
A3F3T0.7
R204-(3-METHYLPHENYL)-1H-1,2,3-TRIAZOLEA2ADU0.71
TSS2-(1H-INDOL-3-YL)ETHANAMINEA,B,D,H2IUQ0.7
TSS2-(1H-INDOL-3-YL)ETHANAMINEA,B2FPB0.7
TSS2-(1H-INDOL-3-YL)ETHANAMINED,H2AGW0.7
TSS2-(1H-INDOL-3-YL)ETHANAMINEA2PQL0.7
PRLPROFLAVINH,I1BCU0.72
PRLPROFLAVINA,B,D,E1QVT0.72
PRLPROFLAVINA,B2KD40.72
PRLPROFLAVINA1QVU0.72
11XN-(pyridin-3-ylmethyl)anilineA3EJ00.73
5NI5-NITROINDAZOLEA,B1M8I0.71
5NI5-NITROINDAZOLEA,B1M9Q0.71
THATACRINEA,B2AOW0.72
THATACRINEA,B,C,D,E,F1MX10.72
THATACRINEA,B2AOX0.72
THATACRINEA1ACJ0.72
DEQDEQUALINIUMA,B,D,E1JT60.72
DEQDEQUALINIUMA,B,D,E3BR20.72
DEQDEQUALINIUMA1OYD0.72
DEQDEQUALINIUMA,B,D,E3BT90.72
DEQDEQUALINIUMA,B,D,E3BTJ0.72
DEQDEQUALINIUMA,B,D,E3BR10.72
BMU1-(5-TERT-BUTYL-2-METHYL-2H-PYRAZOL-
3-YL)-3-(4-CHLORO-PHENYL)-UREA
A1KV10.72
GG54-[3-(4-FLUOROPHENYL)-1H-PYRAZOL-
4-YL]PYRIDINE
A3HVC0.78
L152-[4-(3-METHYL-1H-PYRAZOL-4-YL)PHENYL]ETHANAMINEA2UW40.76
TSH2-(1H-INDOL-3-YL)ETHANIMINED,H2AGY0.7
TSH2-(1H-INDOL-3-YL)ETHANIMINED,H2AH00.7
TSH2-(1H-INDOL-3-YL)ETHANIMINED,H2AGX0.7
1AW1-[1-(3-aminophenyl)-3-tert-butyl-
1H-pyrazol-5-yl]-3-phenylurea
A,B3F3U0.72
F291-ALLYL-5-(2-PHENYLPYRAZOLO[1,5-
A]PYRIDIN-3-YL)-1H-PYRAZOLO[3,4-
C]PYRIDAZIN-3-AMINE
A1WZY0.74
GVG3-METHYL-4-PHENYL-1H-PYRAZOLEA2UW30.76
L024-[3-(4-CHLOROPHENYL)-1H-PYRAZOL-
5-YL]PIPERIDINE
B,I1WAY0.74
NCT(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P,Q,R,
S,T
1UW60.72
NCT(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINEA1P2Y0.72
NCT(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINEA1P7R0.72
LZ11H-indazoleA,B3E6I0.76
LZ11H-indazoleA2VTA0.76
VC33-(4-nitrophenyl)-1H-pyrazoleA,B,C,D2VCZ0.73
7I27-NITROINDAZOLE-2-CARBOXAMIDINEA,B1FOJ0.71
SM5(1E)-5-(1-piperidin-4-yl-3-pyridin-
4-yl-1H-pyrazol-4-yl)-2,3-dihydro-
1H-inden-1-one oxime
A,B3D4Q0.73
5803-(4-FLUOROPHENYL)-2-(6-METHYLPYRIDIN-
2-YL)-5,6-DIHYDRO-4H-PYRROLO[1,2-
B]PYRAZOLE
A1RW80.79
UN3(2-METHYL-5-PHENYL-2H-PYRAZOL-3-
YL)-SULFAMIC ACID
A2F6W0.82
5DE1-(4-AMINOPHENYL)-3,5-DIMETHYL-
1H-PYRAZOLE-4-CARBOXYLIC ACID ETHYL ESTER
A,B1Y2E0.71