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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00328884

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
D26PHENYL-5-(1H-PYRAZOL-3-YL)-1,3-
THIAZOLE
A,B,C,D2VCX0.75
LZ11H-indazoleA,B3E6I0.75
LZ11H-indazoleA2VTA0.75
6SC3-bromo-5-phenyl-N-(pyridin-4-ylmethyl)pyrazolo[1,5-
a]pyrimidin-7-amine
A2R3R0.73
5BPN-cyclopropyl-4-pyrazolo[1,5-b]pyridazin-
3-ylpyrimidin-2-amine
A,C3EJ10.71
GG54-[3-(4-FLUOROPHENYL)-1H-PYRAZOL-
4-YL]PYRIDINE
A3HVC0.81
APY2-AMINOMETHYL-PYRIDINEA,B,I1HIV0.73
APY2-AMINOMETHYL-PYRIDINEI1IVP0.73
INDINDOLEA1L4H0.73
INDINDOLEA,B,G1O7N0.73
INDINDOLEA185L0.73
INDINDOLEA,B1EG90.73
INDINDOLEA,B1UUV0.73
INDINDOLEA,C,E2B240.73
INDINDOLEA,B,C,D,E,F2P850.73
11XN-(pyridin-3-ylmethyl)anilineA3EJ00.82
8APN~3~-BENZYLPYRIDINE-2,3-DIAMINEA2OHM0.72
P452-(4-CHLOROBENZYLAMINO)-4-(PHENYLAMINO)PYRAZOLO[1,5-
A][1,3,5]TRIAZINE-8-CARBONITRILE
A2PVK0.7
SM5(1E)-5-(1-piperidin-4-yl-3-pyridin-
4-yl-1H-pyrazol-4-yl)-2,3-dihydro-
1H-inden-1-one oxime
A,B3D4Q0.76
TSS2-(1H-INDOL-3-YL)ETHANAMINEA,B,D,H2IUQ0.73
TSS2-(1H-INDOL-3-YL)ETHANAMINEA,B2FPB0.73
TSS2-(1H-INDOL-3-YL)ETHANAMINED,H2AGW0.73
TSS2-(1H-INDOL-3-YL)ETHANAMINEA2PQL0.73
7933-{[(1R)-1-phenylethyl]amino}-4-
(pyridin-4-ylamino)cyclobut-3-ene-
1,2-dione
A3FPM0.7
UN3(2-METHYL-5-PHENYL-2H-PYRAZOL-3-
YL)-SULFAMIC ACID
A2F6W0.73
LZ5N-phenyl-1H-pyrazole-3-carboxamideA2VTL0.73
LIG3-PYRIDIN-4-YL-2,4-DIHYDRO-INDENO[1,2-
.C.]PYRAZOLE
P1JVP0.77
PY14-(3-PYRIDIN-2-YL-1H-PYRAZOL-4-
YL)QUINOLINE
A1PY50.77
5803-(4-FLUOROPHENYL)-2-(6-METHYLPYRIDIN-
2-YL)-5,6-DIHYDRO-4H-PYRROLO[1,2-
B]PYRAZOLE
A1RW80.72
DMZ4-METHYL-N-METHYL-N-(2-PHENYL-2H-
PYRAZOL-3-YL)BENZENESULFONAMIDE
A1N6B0.72
9285-amino-1-(4-chlorophenyl)-1H-pyrazole-
4-carbonitrile
A3EJ20.77
SCJ3-bromo-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-
a]pyrimidin-7-amine
A2R3J0.73
ZZA1-PHENYL-1H-PYRAZOLE-4-CARBOXYLIC ACIDA,B,D2VCW0.8
2781-(1-methyl-1H-pyrrol-2-yl)methanamineX2RBV0.73
2755-amino-1,2-dimethylpyridiniumX2RBW0.71
NTNISONICOTINAMIDINEA7ADH0.72
TSH2-(1H-INDOL-3-YL)ETHANIMINED,H2AGY0.73
TSH2-(1H-INDOL-3-YL)ETHANIMINED,H2AH00.73
TSH2-(1H-INDOL-3-YL)ETHANIMINED,H2AGX0.73
3AP3-AMINOPYRIDINEA1AEF0.71
DZO3-(3-aminophenyl)-N-(3-chlorophenyl)pyrazolo[1,5-
a]pyrimidin-5-amine
A3E7V0.7
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
1UW60.75
NCT(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINEA1P2Y0.75
NCT(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINEA1P7R0.75
L123-(2-PYRIDIN-4-YLETHYL)-1H-INDOLEA1W840.72
P552-(4-ETHYLPIPERAZIN-1-YL)-4-(PHENYLAMINO)PYRAZOLO[1,5-
A][1,3,5]TRIAZINE-8-CARBONITRILE
A2PVL0.73
SCZ3-cyclopropyl-5-phenyl-N-(pyridin-
3-ylmethyl)pyrazolo[1,5-a]pyrimidin-
7-amine
A2R3N0.73
1CM(2R)-2-PHENYL-N-PYRIDIN-4-YLBUTANAMIDEA2CI00.7
2461-benzyl-3-(2-chloropyridin-4-yl)ureaA2QPM0.71
L152-[4-(3-METHYL-1H-PYRAZOL-4-YL)PHENYL]ETHANAMINEA2UW40.76
LL13-pyridin-4-yl-1H-indazoleA3DNE0.8
3MP3-METHYLPYRIDINEA1EUB0.71
3MP3-METHYLPYRIDINEA1BM60.71
P63N-(3-(8-CYANO-4-(PHENYLAMINO)PYRAZOLO[1,5-
A][1,3,5]TRIAZIN-2-YLAMINO)PHENYL)ACETAMIDE
A2PVN0.7
5IQISOQUINOLIN-5-AMINEA,B2F2T0.74
GVG3-METHYL-4-PHENYL-1H-PYRAZOLEA2UW30.76
VC33-(4-nitrophenyl)-1H-pyrazoleA,B,C,D2VCZ0.73
SCF5-(2-fluorophenyl)-N-(pyridin-4-
ylmethyl)pyrazolo[1,5-a]pyrimidin-
7-amine
A2R3I0.74
7I27-NITROINDAZOLE-2-CARBOXAMIDINEA,B1FOJ0.71
P442-(CYCLOHEXYLMETHYLAMINO)-4-(PHENYLAMINO)PYRAZOLO[1,5-
A][1,3,5]TRIAZINE-8-CARBONITRILE
A2PVJ0.75
R204-(3-METHYLPHENYL)-1H-1,2,3-TRIAZOLEA2ADU0.7
4AP4-AMINOPYRIDINEA1AEG0.75
EPJEPIBATIDINEA,B,C,D,E2BYQ0.7
2862-ethenyl-1-methylpyridiniumX2RC20.7
P0419-(cyclopropylamino)-4,6,7,15-
tetrahydro-5H-16,1-(azenometheno)-
10,14-(metheno)pyrazolo[4,3-o][1,3,9]triazacyclohexadecin-
8(9H)-one
A3BE90.71
P19N,N'-DIPHENYLPYRAZOLO[1,5-A][1,3,5]TRIAZINE-
2,4-DIAMINE
A2PVH0.74