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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01734928

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
DMZ4-METHYL-N-METHYL-N-(2-PHENYL-2H-
PYRAZOL-3-YL)BENZENESULFONAMIDE
A1N6B0.73
AUP2-(2-PHENYL-3-PYRIDIN-2-YL-4,5,6,7-
TETRAHYDRO-2H-ISOPHOSPHINDOL-1-
YL)PYRIDINE
A2AAQ0.72
LL13-pyridin-4-yl-1H-indazoleA3DNE0.78
GG54-[3-(4-FLUOROPHENYL)-1H-PYRAZOL-
4-YL]PYRIDINE
A3HVC0.81
ISQISOQUINOLINEA1GDK0.71
DPT4,7-DIMETHYL-[1,10]PHENANTHROLINEA,B1I530.7
DZO3-(3-aminophenyl)-N-(3-chlorophenyl)pyrazolo[1,5-
a]pyrimidin-5-amine
A3E7V0.71
UN3(2-METHYL-5-PHENYL-2H-PYRAZOL-3-
YL)-SULFAMIC ACID
A2F6W0.77
NOWNalpha-[(3-tert-butyl-1-methyl-
1H-pyrazol-5-yl)carbonyl]-N-[(2Z)-
2-iminoethyl]-3-methyl-L-phenylalaninamide
A,B,C,D3HHA0.7
5803-(4-FLUOROPHENYL)-2-(6-METHYLPYRIDIN-
2-YL)-5,6-DIHYDRO-4H-PYRROLO[1,2-
B]PYRAZOLE
A1RW80.78
TSS2-(1H-INDOL-3-YL)ETHANAMINEA,B,D,H2IUQ0.72
TSS2-(1H-INDOL-3-YL)ETHANAMINEA,B2FPB0.72
TSS2-(1H-INDOL-3-YL)ETHANAMINED,H2AGW0.72
TSS2-(1H-INDOL-3-YL)ETHANAMINEA2PQL0.72
7I27-NITROINDAZOLE-2-CARBOXAMIDINEA,B1FOJ0.72
RW14-phenylpyrimidineA,B,C3B9S0.72
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
1UW60.76
NCT(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINEA1P2Y0.76
NCT(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINEA1P7R0.76
ZZA1-PHENYL-1H-PYRAZOLE-4-CARBOXYLIC ACIDA,B,D2VCW0.72
D26PHENYL-5-(1H-PYRAZOL-3-YL)-1,3-
THIAZOLE
A,B,C,D2VCX0.72
INDINDOLEA1L4H0.7
INDINDOLEA,B,G1O7N0.7
INDINDOLEA185L0.7
INDINDOLEA,B1EG90.7
INDINDOLEA,B1UUV0.7
INDINDOLEA,C,E2B240.7
INDINDOLEA,B,C,D,E,F2P850.7
0471-CYCLOHEXYL-N-{[1-(4-METHYLPHENYL)-
1H-INDOL-3-YL]METHYL}METHANAMINE
A,B2PJL0.71
SM5(1E)-5-(1-piperidin-4-yl-3-pyridin-
4-yl-1H-pyrazol-4-yl)-2,3-dihydro-
1H-inden-1-one oxime
A,B3D4Q0.77
L123-(2-PYRIDIN-4-YLETHYL)-1H-INDOLEA1W840.7
GVG3-METHYL-4-PHENYL-1H-PYRAZOLEA2UW30.8
TZ53,8-DIAMINO-6-PHENYL-5-[6-[1-[2-
[(1,2,3,4-TETRAHYDRO-9-ACRIDINYL)AMINO]ETHYL]-
1H-1,2,3-TRIAZOL-5-YL]HEXYL]-PHENANTHRIDINIUM
A,B1Q830.7
P442-(CYCLOHEXYLMETHYLAMINO)-4-(PHENYLAMINO)PYRAZOLO[1,5-
A][1,3,5]TRIAZINE-8-CARBONITRILE
A2PVJ0.72
MIB(3E)-4-(1-METHYL-1H-INDOL-3-YL)BUT-
3-EN-2-ONE
A1ZS50.7
5BPN-cyclopropyl-4-pyrazolo[1,5-b]pyridazin-
3-ylpyrimidin-2-amine
A,C3EJ10.7
5NI5-NITROINDAZOLEA,B1M8I0.71
5NI5-NITROINDAZOLEA,B1M9Q0.71
6NI6-NITROINDAZOLEA,B1M8H0.71
6NI6-NITROINDAZOLEA,B1M9M0.71
F291-ALLYL-5-(2-PHENYLPYRAZOLO[1,5-
A]PYRIDIN-3-YL)-1H-PYRAZOLO[3,4-
C]PYRIDAZIN-3-AMINE
A1WZY0.7
NPMN-[(1E)-PYRIDIN-2-YLMETHYLENE]-
N-[4-(4-{[(1E)-PYRIDIN-2-YLMETHYLENE]AMINO}BENZYL)PHENYL]AMINE
A,B2ET00.74
R204-(3-METHYLPHENYL)-1H-1,2,3-TRIAZOLEA2ADU0.73
LIG3-PYRIDIN-4-YL-2,4-DIHYDRO-INDENO[1,2-
.C.]PYRAZOLE
P1JVP0.79
CEL4-[5-(4-METHYLPHENYL)-3-(TRIFLUOROMETHYL)-
1H-PYRAZOL-1-YL]BENZENESULFONAMIDE
A1OQ50.71
5IQISOQUINOLIN-5-AMINEA,B2F2T0.74
LZ11H-indazoleA,B3E6I0.76
LZ11H-indazoleA2VTA0.76
PY14-(3-PYRIDIN-2-YL-1H-PYRAZOL-4-
YL)QUINOLINE
A1PY50.76
L152-[4-(3-METHYL-1H-PYRAZOL-4-YL)PHENYL]ETHANAMINEA2UW40.79
TSH2-(1H-INDOL-3-YL)ETHANIMINED,H2AGY0.72
TSH2-(1H-INDOL-3-YL)ETHANIMINED,H2AH00.72
TSH2-(1H-INDOL-3-YL)ETHANIMINED,H2AGX0.72
11XN-(pyridin-3-ylmethyl)anilineA3EJ00.72
VC33-(4-nitrophenyl)-1H-pyrazoleA,B,C,D2VCZ0.75