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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02103295

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
LZ11H-indazoleA,B3E6I0.85
LZ11H-indazoleA2VTA0.85
LZ74-(acetylamino)-N-(4-fluorophenyl)-
1H-pyrazole-3-carboxamide
A2VTN0.76
L123-(2-PYRIDIN-4-YLETHYL)-1H-INDOLEA1W840.71
LZ9{[(2,6-difluorophenyl)carbonyl]amino}-
N-(4-fluorophenyl)-1H-pyrazole-
3-carboxamide
A2VTP0.76
2MI2-METHYL-1H-INDOLEA2PIO0.7
7NI7-NITROINDAZOLEA,B1M8E0.76
7NI7-NITROINDAZOLEA,B1FOJ0.76
7NI7-NITROINDAZOLEA,B1M9K0.76
LZA{[(2,6-difluorophenyl)carbonyl]amino}-
N-piperidin-4-yl-1H-pyrazole-3-
carboxamide
A2VTQ0.74
PY14-(3-PYRIDIN-2-YL-1H-PYRAZOL-4-
YL)QUINOLINE
A1PY50.74
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
A3BE90.73
LZ3N-(4-sulfamoylphenyl)-1H-indazole-
3-carboxamide
A2VTI0.74
FRZ5-(2-PHENYLPYRAZOLO[1,5-A]PYRIDIN-
3-YL)-1H-PYRAZOLO[3,4-C]PYRIDAZIN-
3-AMINE
A1TVO0.7
LIG3-PYRIDIN-4-YL-2,4-DIHYDRO-INDENO[1,2-
.C.]PYRAZOLE
P1JVP0.73
5B25-phenyl-1H-indazol-3-amineA3E630.72
L152-[4-(3-METHYL-1H-PYRAZOL-4-YL)PHENYL]ETHANAMINEA2UW40.78
INDINDOLEA1L4H0.72
INDINDOLEA,B,G1O7N0.72
INDINDOLEA185L0.72
INDINDOLEA,B1EG90.72
INDINDOLEA,B1UUV0.72
INDINDOLEA,C,E2B240.72
INDINDOLEA,B,C,D,E,F2P850.72
83H8-ethyl-3,10,10-trimethyl-4,5,6,8,10,12-
hexahydropyrazolo[4',3':6,7]cyclohepta[1,2-
b]pyrrolo[2,3-f]indol-9(1H)-one
A,B3COH0.7
D26PHENYL-5-(1H-PYRAZOL-3-YL)-1,3-
THIAZOLE
A,B,C,D2VCX0.7
3063-[5-(PIPERIDIN-1-YLMETHYL)-1H-
INDOL-2-YL]-6-(1H-PYRAZOL-4-YL)QUINOLIN-
2(1H)-ONE
A2HY00.73
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
19AN,N-DIMETHYL-4-(4-PHENYL-1H-PYRAZOL-
3-YL)-1H-PYRROLE-2-CARBOXAMIDE
A2OJG0.71
L0HN-[3-(1H-BENZIMIDAZOL-2-YL)-1H-
PYRAZOL-4-YL]BENZAMIDE
A2W1H0.71
7I27-NITROINDAZOLE-2-CARBOXAMIDINEA,B1FOJ0.7
GVG3-METHYL-4-PHENYL-1H-PYRAZOLEA2UW30.77
R204-(3-METHYLPHENYL)-1H-1,2,3-TRIAZOLEA2ADU0.71
NOWNalpha-[(3-tert-butyl-1-methyl-
1H-pyrazol-5-yl)carbonyl]-N-[(2Z)-
2-iminoethyl]-3-methyl-L-phenylalaninamide
A,B,C,D3HHA0.72
5825-ETHYL-3-METHYL-1,5-DIHYDRO-4H-
PYRAZOLO[4,3-C]QUINOLIN-4-ONE
A2QHN0.78
LZD4-{[(2,6-difluorophenyl)carbonyl]amino}-
N-[(3S)-piperidin-3-yl]-1H-pyrazole-
3-carboxamide
A2VTT0.74
5372,6-DIHYDROANTHRA/1,9-CD/PYRAZOL-
6-ONE
A1UKI0.71
5372,6-DIHYDROANTHRA/1,9-CD/PYRAZOL-
6-ONE
A1PMV0.71
5372,6-DIHYDROANTHRA/1,9-CD/PYRAZOL-
6-ONE
A2ZMD0.71
LZ5N-phenyl-1H-pyrazole-3-carboxamideA2VTL0.81
TSR2-(1H-INDOL-3-YL)ACETAMIDED,H2OJY0.73
TSR2-(1H-INDOL-3-YL)ACETAMIDEA,D,H2OIZ0.73
L024-[3-(4-CHLOROPHENYL)-1H-PYRAZOL-
5-YL]PIPERIDINE
B,I1WAY0.7
L0FN-[3-(1H-BENZIMIDAZOL-2-YL)-1H-
PYRAZOL-4-YL]BENZAMIDE
A2W1F0.71
2FR3-[3-(3-methyl-6-{[(1S)-1-phenylethyl]amino}-
1H-pyrazolo[4,3-c]pyridin-1-yl)phenyl]propanamide
A3DBC0.72
5NI5-NITROINDAZOLEA,B1M8I0.79
5NI5-NITROINDAZOLEA,B1M9Q0.79
LZ8(4E)-N-(4-fluorophenyl)-4-[(phenylcarbonyl)imino]-
4H-pyrazole-3-carboxamide
A2VTO0.74
SBC1-[4-(AMINOSULFONYL)PHENYL]-1,6-
DIHYDROPYRAZOLO[3,4-E]INDAZOLE-
3-CARBOXAMIDE
A,C,D2BKZ0.74
LZE4-{[(2,6-dichlorophenyl)carbonyl]amino}-
N-piperidin-4-yl-1H-pyrazole-3-
carboxamide
A2VU30.71
N5BN-(5-CYCLOPROPYL-1H-PYRAZOL-3-YL)BENZAMIDEA1VYZ0.72
LL13-pyridin-4-yl-1H-indazoleA3DNE0.82
P63N-(3-(8-CYANO-4-(PHENYLAMINO)PYRAZOLO[1,5-
A][1,3,5]TRIAZIN-2-YLAMINO)PHENYL)ACETAMIDE
A2PVN0.72
TSH2-(1H-INDOL-3-YL)ETHANIMINED,H2AGY0.72
TSH2-(1H-INDOL-3-YL)ETHANIMINED,H2AH00.72
TSH2-(1H-INDOL-3-YL)ETHANIMINED,H2AGX0.72
LTNL-TRYPTOPHANAMIDEA1MAU0.73
LTNL-TRYPTOPHANAMIDEA,B2QUI0.73
6NI6-NITROINDAZOLEA,B1M8H0.8
6NI6-NITROINDAZOLEA,B1M9M0.8
GG54-[3-(4-FLUOROPHENYL)-1H-PYRAZOL-
4-YL]PYRIDINE
A3HVC0.75
QIGN-1H-indazol-5-yl-2-(6-methylpyridin-
2-yl)quinazolin-4-amine
A3GXL0.71
VC33-(4-nitrophenyl)-1H-pyrazoleA,B,C,D2VCZ0.75