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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02131067

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
SCQ3-bromo-5-phenyl-N-(pyrimidin-5-
ylmethyl)pyrazolo[1,5-a]pyridin-
7-amine
A2R3K0.72
L152-[4-(3-METHYL-1H-PYRAZOL-4-YL)PHENYL]ETHANAMINEA2UW40.75
SCJ3-bromo-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-
a]pyrimidin-7-amine
A2R3J0.72
LIG3-PYRIDIN-4-YL-2,4-DIHYDRO-INDENO[1,2-
.C.]PYRAZOLE
P1JVP0.75
5803-(4-FLUOROPHENYL)-2-(6-METHYLPYRIDIN-
2-YL)-5,6-DIHYDRO-4H-PYRROLO[1,2-
B]PYRAZOLE
A1RW80.74
PY14-(3-PYRIDIN-2-YL-1H-PYRAZOL-4-
YL)QUINOLINE
A1PY50.73
CT6(5Z)-5-(3-BROMOCYCLOHEXA-2,5-DIEN-
1-YLIDENE)-N-(PYRIDIN-4-YLMETHYL)-
1,5-DIHYDROPYRAZOLO[1,5-A]PYRIMIDIN-
7-AMINE
A2C680.71
LZ11H-indazoleA,B3E6I0.72
LZ11H-indazoleA2VTA0.72
R204-(3-METHYLPHENYL)-1H-1,2,3-TRIAZOLEA2ADU0.71
6SC3-bromo-5-phenyl-N-(pyridin-4-ylmethyl)pyrazolo[1,5-
a]pyrimidin-7-amine
A2R3R0.72
UN3(2-METHYL-5-PHENYL-2H-PYRAZOL-3-
YL)-SULFAMIC ACID
A2F6W0.74
S581-PHENYLSULFONAMIDE-3-TRIFLUOROMETHYL-
5-PARABROMOPHENYLPYRAZOLE
A,B,C,D1CX20.74
S581-PHENYLSULFONAMIDE-3-TRIFLUOROMETHYL-
5-PARABROMOPHENYLPYRAZOLE
A,B6COX0.74
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
LL13-pyridin-4-yl-1H-indazoleA3DNE0.76
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
1UW60.74
NCT(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINEA1P2Y0.74
NCT(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINEA1P7R0.74
VC33-(4-nitrophenyl)-1H-pyrazoleA,B,C,D2VCZ0.7
GG54-[3-(4-FLUOROPHENYL)-1H-PYRAZOL-
4-YL]PYRIDINE
A3HVC0.78
D26PHENYL-5-(1H-PYRAZOL-3-YL)-1,3-
THIAZOLE
A,B,C,D2VCX0.71
GVG3-METHYL-4-PHENYL-1H-PYRAZOLEA2UW30.76
RW14-phenylpyrimidineA,B,C3B9S0.71
CT8(5Z)-5-(3-BROMOCYCLOHEXA-2,5-DIEN-
1-YLIDENE)-N-(PYRIDIN-4-YLMETHYL)-
1,5-DIHYDRO[1,2,4]TRIAZOLO[1,5-
A]PYRIMIDIN-7-AMINE
A2C690.72