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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03222324

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
PDS3-{1-[3-(DIMETHYLAMINO)PROPYL]-
2-METHYL-1H-INDOL-3-YL}-4-(2-METHYL-
1H-INDOL-3-YL)-1H-PYRROLE-2,5-DIONE
A,B2I0E0.7
UP3A3D8N0.72
9CA9H-CARBAZOLEA,B,C,D,E,F2DE70.77
POH5,10,15,20-TETRA-(4-N-METHYLPYRIDYL) PORPHINEA2HRI0.81
POH5,10,15,20-TETRA-(4-N-METHYLPYRIDYL) PORPHINEA2A5R0.81
DAP6-AMIDINE-2-(4-AMIDINO-PHENYL)INDOLEA1D300.75
DAP6-AMIDINE-2-(4-AMIDINO-PHENYL)INDOLEA432D0.75
1CPCOPROPORPHYRIN IA1R3S0.73
1CPCOPROPORPHYRIN IA1R3V0.73
1CPCOPROPORPHYRIN IA1R3Q0.73
H02N-METHYL PROTOPORPHYRIN IX 2,4-
DISULFONIC ACID
A2Q3J0.71
TSH2-(1H-INDOL-3-YL)ETHANIMINED,H2AGY0.71
TSH2-(1H-INDOL-3-YL)ETHANIMINED,H2AH00.71
TSH2-(1H-INDOL-3-YL)ETHANIMINED,H2AGX0.71
PNITETRA[N-METHYL-PYRIDYL] PORPHYRIN-
NICKEL
A,B,C,D1EM00.71
SFP5,10,15,20-TETRAKIS(4-SULPFONATOPHENYL)-
21H,23H-PORPHINE
A,B,C,D1RIR0.77
SFP5,10,15,20-TETRAKIS(4-SULPFONATOPHENYL)-
21H,23H-PORPHINE
A1PXD0.77
SFP5,10,15,20-TETRAKIS(4-SULPFONATOPHENYL)-
21H,23H-PORPHINE
A,B,C,D1RIT0.77
SFP5,10,15,20-TETRAKIS(4-SULPFONATOPHENYL)-
21H,23H-PORPHINE
P1JN20.77
MMPN-METHYLMESOPORPHYRINA,B,C,D3FCT0.73
MMPN-METHYLMESOPORPHYRINL1N7M0.73
MMPN-METHYLMESOPORPHYRINB,H1NGW0.73
MMPN-METHYLMESOPORPHYRINA1C1H0.73
PP9PROTOPORPHYRIN IXA1Z530.76
PP9PROTOPORPHYRIN IXA,B,C,D2HRE0.76
PP9PROTOPORPHYRIN IXA,B2QD50.76
PP9PROTOPORPHYRIN IXA1HRS0.76
PP9PROTOPORPHYRIN IXA,B,C,D2QD10.76
P831-(9-ethyl-9H-carbazol-3-yl)-N-
methylmethanamine
A,B2VUK0.72
23M2-(3-METHYLPHENYL)-1H-INDOLE-5-
CARBOXIMIDAMIDE
A2G5N0.75
2MI2-METHYL-1H-INDOLEA2PIO0.76
PCUCU(II)MESO(4-N-TETRAMETHYLPYRIDYL)PORPHYRINA231D0.71
CP3COPROPORPHYRIN IIIA1R3T0.73
CP3COPROPORPHYRIN IIIA1R3W0.73
CP3COPROPORPHYRIN IIIA1R3Y0.73
CP3COPROPORPHYRIN IIIA2Q710.73
RKAN,N'-(1H-PYRROLE-2,5-DIYLDI-4,1-
PHENYLENE)DIBENZENECARBOXIMIDAMIDE
A2GYX0.76
22M2-(2-METHYLPHENYL)-1H-INDOLE-6-
CARBOXIMIDAMIDE
A2G5V0.74
MI22-(2-METHYLPHENYL)-1H-INDOLE-5-
CARBOXIMIDAMIDE
A2G8T0.74
TSS2-(1H-INDOL-3-YL)ETHANAMINEA,B,D,H2IUQ0.71
TSS2-(1H-INDOL-3-YL)ETHANAMINEA,B2FPB0.71
TSS2-(1H-INDOL-3-YL)ETHANAMINED,H2AGW0.71
TSS2-(1H-INDOL-3-YL)ETHANAMINEA2PQL0.71