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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02130500

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
JN5(2S)-1,3-benzothiazol-2-yl{2-[(2-
pyridin-3-ylethyl)amino]pyrimidin-
4-yl}ethanenitrile
A3CY30.73
L123-(2-PYRIDIN-4-YLETHYL)-1H-INDOLEA1W840.71
CK8N-[4-(2,4-DIMETHYL-THIAZOL-5-YL)-
PYRIMIDIN-2-YL]-N',N'-DIMETHYL-
BENZENE-1,4-DIAMINE
A,C2C5N0.75
CK8N-[4-(2,4-DIMETHYL-THIAZOL-5-YL)-
PYRIMIDIN-2-YL]-N',N'-DIMETHYL-
BENZENE-1,4-DIAMINE
A1PXP0.75
LL13-pyridin-4-yl-1H-indazoleA3DNE0.7
QYT(5E)-5-(QUINOXALIN-6-YLMETHYLENE)-
1,3-THIAZOLIDINE-2,4-DIONE
A2A5U0.71
CK44-(2,4-DIMETHYL-1,3-THIAZOL-5-YL)-
N-[4-(TRIFLUOROMETHYL)PHENYL]PYRIMIDIN-
2-AMINE
A1PXL0.81
CK44-(2,4-DIMETHYL-1,3-THIAZOL-5-YL)-
N-[4-(TRIFLUOROMETHYL)PHENYL]PYRIMIDIN-
2-AMINE
A,C,F,H2C5V0.81
Q742-(3-((4,5,7-trifluorobenzo[d]thiazol-
2-yl)methyl)-1H-pyrrolo[2,3-b]pyridin-
1-yl)acetic acid
A3G5E0.71
QMSN-(QUINOLIN-8-YL)METHANESULFONAMIDEA2BB70.7
AK11-{5-[2-(thieno[3,2-d]pyrimidin-
4-ylamino)ethyl]-1,3-thiazol-2-
yl}-3-[3-(trifluoromethyl)phenyl]urea
A3D140.73
D26PHENYL-5-(1H-PYRAZOL-3-YL)-1,3-
THIAZOLE
A,B,C,D2VCX0.78
ESPTHIENO[2,3-B]PYRIDINE-2-CARBOXAMIDINEB1C5Y0.8
ESPTHIENO[2,3-B]PYRIDINE-2-CARBOXAMIDINEA1C5U0.8
ESPTHIENO[2,3-B]PYRIDINE-2-CARBOXAMIDINEA1C5T0.8
6544-(2-THIENYL)-1-(4-METHYLBENZYL)-
1H-IMIDAZOLE
A,B1I2Z0.72
THZBENZOTHIAZOLEH,I,R1TBZ0.76
THZBENZOTHIAZOLEH,I,R1B5G0.76
PHN1,10-PHENANTHROLINEA1LIH0.7
PHN1,10-PHENANTHROLINEA2LIG0.7
PHN1,10-PHENANTHROLINEA,B2FU70.7
PIU1-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}-
2,4,6-TRIMETHYLPYRIDINIUM
A1ZE80.7
SB64-(4-FLUOROPHENYL)-1-CYCLOROPROPYLMETHYL-
5-(4-PYRIDYL)-IMIDAZOLE
A1BL60.7
PY23-(MERCAPTOMETHYLENE)PYRIDINEA,B1IDA0.73
AUP2-(2-PHENYL-3-PYRIDIN-2-YL-4,5,6,7-
TETRAHYDRO-2H-ISOPHOSPHINDOL-1-
YL)PYRIDINE
A2AAQ0.73
LL25-benzyl-1,3-thiazol-2-amineA3DND0.72
5CH5-chloro-6'-methyl-3-[4-(methylsulfonyl)phenyl]-
2,3'-bipyridine
A3CFL0.74
CK24-(2,4-DIMETHYL-1,3-THIAZOL-5-YL)PYRIMIDIN-
2-AMINE
A,C2C5O0.75
CK24-(2,4-DIMETHYL-1,3-THIAZOL-5-YL)PYRIMIDIN-
2-AMINE
A1PXJ0.75
N3TA,B1TKA0.74
FPH3-(4-FLUOROPHENYL)-2-PYRIDIN-4-
YL-1H-PYRROLO[3,2-B]PYRIDIN-1-OL
A1OZ10.72
5IQISOQUINOLIN-5-AMINEA,B2F2T0.72
ISQISOQUINOLINEA1GDK0.72
AK71-(5-{2-[(6-amino-5-bromopyrimidin-
4-yl)amino]ethyl}-1,3-thiazol-2-
yl)-3-[3-(trifluoromethyl)phenyl]urea
A3DJ70.71
NPMN-[(1E)-PYRIDIN-2-YLMETHYLENE]-
N-[4-(4-{[(1E)-PYRIDIN-2-YLMETHYLENE]AMINO}BENZYL)PHENYL]AMINE
A,B2ET00.74
11XN-(pyridin-3-ylmethyl)anilineA3EJ00.74
SB24-[5-(4-FLUORO-PHENYL)-2-(4-METHANESULFINYL-
PHENYL)-3H-IMIDAZOL-4-YL]-PYRIDINE
A2EWA0.71
SB24-[5-(4-FLUORO-PHENYL)-2-(4-METHANESULFINYL-
PHENYL)-3H-IMIDAZOL-4-YL]-PYRIDINE
A1A9U0.71
SB24-[5-(4-FLUORO-PHENYL)-2-(4-METHANESULFINYL-
PHENYL)-3H-IMIDAZOL-4-YL]-PYRIDINE
A1PME0.71
3NA{3-[(4,5,7-TRIFLUORO-1,3-BENZOTHIAZOL-
2-YL)METHYL]-1H-INDOL-1-YL}ACETIC ACID
A1Z3N0.76
GG54-[3-(4-FLUOROPHENYL)-1H-PYRAZOL-
4-YL]PYRIDINE
A3HVC0.74
TH4{(2Z)-3-[(6-chloropyridin-3-yl)methyl]-
1,3-thiazolidin-2-ylidene}cyanamide
A,B,C,D,E3C840.72
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
1UW60.77
NCT(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINEA1P2Y0.77
NCT(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINEA1P7R0.77
L224-(2-amino-1,3-thiazol-4-yl)pyrimidin-
2-amine
A,B2W700.72
TOT1,1-(4,4,8,8-TETRAMETHYL-4,8-DIAZAUNDECAMETHYLENE)-
BIS-4-3-METHYL-2,3-DIHYDRO-(BENZO-
1,3-THIAZOLE)-2-METHYLIDENE)-QUINOLINIUM
A108D0.72
CK7[4-(2-AMINO-4-METHYL-THIAZOL-5-
YL)-PYRIMIDIN-2-YL]-(3-NITRO-PHENYL)-
AMINE
A1PXO0.7
CK7[4-(2-AMINO-4-METHYL-THIAZOL-5-
YL)-PYRIMIDIN-2-YL]-(3-NITRO-PHENYL)-
AMINE
A,C2C5P0.7
RW14-phenylpyrimidineA,B,C3B9S0.71
N1TA,B1TKB0.71
CK3N-[4-(2,4-DIMETHYL-1,3-THIAZOL-
5-YL)PYRIMIDIN-2-YL]-N'-HYDROXYIMIDOFORMAMIDE
A1PXK0.72