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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02382648

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
IP6N~3~-[3-(1H-INDOL-6-YL)BENZYL]PYRIDINE-
2,3-DIAMINE		A2OHT0.75
BI43-(1H-INDOL-3-YL)-4-{1-[2-(1-METHYLPYRROLIDIN-
2-YL)ETHYL]-1H-INDOL-3-YL}-1H-PYRROLE-
2,5-DIONE		A,B1SZM0.72
BI23-(1H-INDOL-3-YL)-4-(1-{2-[(2S)-
1-METHYLPYRROLIDINYL]ETHYL}-1H-
INDOL-3-YL)-1H-PYRROLE-2,5-DIONE		A1UU70.72
4223-(5-{[4-(AMINOMETHYL)PIPERIDIN-
1-YL]METHYL}-1H-INDOL-2-YL)-1H-
INDAZOLE-6-CARBONITRILE		A2HXL0.73
TSS2-(1H-INDOL-3-YL)ETHANAMINEA,B,D,H2IUQ0.75
TSS2-(1H-INDOL-3-YL)ETHANAMINEA,B2FPB0.75
TSS2-(1H-INDOL-3-YL)ETHANAMINED,H2AGW0.75
TSS2-(1H-INDOL-3-YL)ETHANAMINEA2PQL0.75
0471-CYCLOHEXYL-N-{[1-(4-METHYLPHENYL)-
1H-INDOL-3-YL]METHYL}METHANAMINE		A,B2PJL0.77
A8NN-9-(1',2',3',4'-TETRAHYDROACRIDINYL)-
1,8-DIAMINOOCTANE		A1UT60.71
2PT1-[2-(ACRIDIN-9-YLAMINO)ETHYL]-
1,3-DIMETHYLTHIOUREA-PLATINUM(II)-
ETHANE-1,2-DIAMINE		B1XRW0.75
3733-(5-{[4-(AMINOMETHYL)PIPERIDIN-
1-YL]METHYL}-1H-INDOL-2-YL)QUINOLIN-
2(1H)-ONE		A2HXQ0.71
AEE6-{4-[(4-ETHYLPIPERAZIN-1-YL)METHYL]PHENYL}-
N-[(1R)-1-PHENYLETHYL]-7H-PYRROLO[2,3-
D]PYRIMIDIN-4-AMINE		A2J6M0.71
AEE6-{4-[(4-ETHYLPIPERAZIN-1-YL)METHYL]PHENYL}-
N-[(1R)-1-PHENYLETHYL]-7H-PYRROLO[2,3-
D]PYRIMIDIN-4-AMINE		A2JIU0.71
AEE6-{4-[(4-ETHYLPIPERAZIN-1-YL)METHYL]PHENYL}-
N-[(1R)-1-PHENYLETHYL]-7H-PYRROLO[2,3-
D]PYRIMIDIN-4-AMINE		A2ITT0.71
AEE6-{4-[(4-ETHYLPIPERAZIN-1-YL)METHYL]PHENYL}-
N-[(1R)-1-PHENYLETHYL]-7H-PYRROLO[2,3-
D]PYRIMIDIN-4-AMINE		A2ITP0.71
23M2-(3-METHYLPHENYL)-1H-INDOLE-5-
CARBOXIMIDAMIDE		A2G5N0.76
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
PDS3-{1-[3-(DIMETHYLAMINO)PROPYL]-
2-METHYL-1H-INDOL-3-YL}-4-(2-METHYL-
1H-INDOL-3-YL)-1H-PYRROLE-2,5-DIONE		A,B2I0E0.73
2MI2-METHYL-1H-INDOLEA2PIO0.74
RKAN,N'-(1H-PYRROLE-2,5-DIYLDI-4,1-
PHENYLENE)DIBENZENECARBOXIMIDAMIDE		A2GYX0.72
P831-(9-ethyl-9H-carbazol-3-yl)-N-
methylmethanamine		A,B2VUK0.77
TSH2-(1H-INDOL-3-YL)ETHANIMINED,H2AGY0.75
TSH2-(1H-INDOL-3-YL)ETHANIMINED,H2AH00.75
TSH2-(1H-INDOL-3-YL)ETHANIMINED,H2AGX0.75
POH5,10,15,20-TETRA-(4-N-METHYLPYRIDYL) PORPHINEA2HRI0.77
POH5,10,15,20-TETRA-(4-N-METHYLPYRIDYL) PORPHINEA2A5R0.77
22M2-(2-METHYLPHENYL)-1H-INDOLE-6-
CARBOXIMIDAMIDE		A2G5V0.77
BI13-{1-[3-(DIMETHYLAMINO)PROPYL]-
1H-INDOL-3-YL}-4-(1H-INDOL-3-YL)-
1H-PYRROLE-2,5-DIONE		A1XWS0.71
BI13-{1-[3-(DIMETHYLAMINO)PROPYL]-
1H-INDOL-3-YL}-4-(1H-INDOL-3-YL)-
1H-PYRROLE-2,5-DIONE		B2BIK0.71
BI13-{1-[3-(DIMETHYLAMINO)PROPYL]-
1H-INDOL-3-YL}-4-(1H-INDOL-3-YL)-
1H-PYRROLE-2,5-DIONE		A1ZRZ0.71
BI13-{1-[3-(DIMETHYLAMINO)PROPYL]-
1H-INDOL-3-YL}-4-(1H-INDOL-3-YL)-
1H-PYRROLE-2,5-DIONE		B2BIL0.71
BI13-{1-[3-(DIMETHYLAMINO)PROPYL]-
1H-INDOL-3-YL}-4-(1H-INDOL-3-YL)-
1H-PYRROLE-2,5-DIONE		A1UU80.71
MBB2'-(3-METHYL-4-DIMETHYLAMINOPHENYL)-
5-(4-METHYL-1-PIPERAZINYL)-2,5'-
BI-BENZIMIDAZOLE		B1QV40.71
MI22-(2-METHYLPHENYL)-1H-INDOLE-5-
CARBOXIMIDAMIDE		A2G8T0.77
MHC3-MERCAPTO-1-(1,3,4,9-TETRAHYDRO-
B-CARBOLIN-2-YL)-PROPAN-1-ONE		A1NBP0.71
9CA9H-CARBAZOLEA,B,C,D,E,F2DE70.76
BI33-[1-(3-AMINOPROPYL)-1H-INDOL-3-
YL]-4-(1H-INDOL-3-YL)-1H-PYRROLE-
2,5-DIONE		A1UU90.7
6IP6-[2-(1H-INDOL-6-YL)ETHYL]PYRIDIN-
2-AMINE		A2OHP0.73
L123-(2-PYRIDIN-4-YLETHYL)-1H-INDOLEA1W840.75
MDL[DEHYDROXY-N-METHYL-TYROSYL-PROLINYL]-
[4,4,5,5,5-PENTAFLUORO-3-OXY-1-
[3-INDOLYL]-PENT-2-YL]AMINE		H,I1AD80.7
2IG6-ETHYL-5-[9-(3-METHOXYPROPYL)-
9H-CARBAZOL-2-YL]PYRIMIDINE-2,4-
DIAMINE		A,B2G1O0.7
R114-{[1-METHYL-5-(2-METHYL-BENZOIMIDAZOL-
1-YLMETHYL)-1H-BENZOIMIDAZOL-2-
YLMETHYL]-AMINO}-BENZAMIDINE		A1G2M0.71
R114-{[1-METHYL-5-(2-METHYL-BENZOIMIDAZOL-
1-YLMETHYL)-1H-BENZOIMIDAZOL-2-
YLMETHYL]-AMINO}-BENZAMIDINE		B,C1G320.71
R114-{[1-METHYL-5-(2-METHYL-BENZOIMIDAZOL-
1-YLMETHYL)-1H-BENZOIMIDAZOL-2-
YLMETHYL]-AMINO}-BENZAMIDINE		A1G360.71
SFP5,10,15,20-TETRAKIS(4-SULPFONATOPHENYL)-
21H,23H-PORPHINE		A,B,C,D1RIR0.71
SFP5,10,15,20-TETRAKIS(4-SULPFONATOPHENYL)-
21H,23H-PORPHINE		A1PXD0.71
SFP5,10,15,20-TETRAKIS(4-SULPFONATOPHENYL)-
21H,23H-PORPHINE		A,B,C,D1RIT0.71
SFP5,10,15,20-TETRAKIS(4-SULPFONATOPHENYL)-
21H,23H-PORPHINE		P1JN20.71
3LP1-(CYCLOHEXYLAMINO)-3-(6-METHYL-
3,4-DIHYDRO-1H-CARBAZOL-9(2H)-YL)PROPAN-
2-OL		A,B,C,D,E,F2P6G0.73
DAP6-AMIDINE-2-(4-AMIDINO-PHENYL)INDOLEA1D300.76
DAP6-AMIDINE-2-(4-AMIDINO-PHENYL)INDOLEA432D0.76