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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02594664

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
AGE(2E)-N-hydroxy-3-[1-methyl-4-(phenylacetyl)-
1H-pyrrol-2-yl]prop-2-enamide
A,B,C3F070.71
SU13-[(3-(2-CARBOXYETHYL)-4-METHYLPYRROL-
2-YL)METHYLENE]-2-INDOLINONE
A,B1FGI0.72
B49N-[2-(diethylamino)ethyl]-5-[(Z)-
(5-fluoro-2-oxo-1,2-dihydro-3H-
indol-3-ylidene)methyl]-2,4-dimethyl-
1H-pyrrole-3-carboxamide
A,B3G0F0.7
B49N-[2-(diethylamino)ethyl]-5-[(Z)-
(5-fluoro-2-oxo-1,2-dihydro-3H-
indol-3-ylidene)methyl]-2,4-dimethyl-
1H-pyrrole-3-carboxamide
A3G0E0.7
F102-[2-(2-FLUOROPHENYL)PYRIDIN-4-
YL]-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-
C]PYRIDIN-4-ONE
X2P3G0.7
BI13-{1-[3-(DIMETHYLAMINO)PROPYL]-
1H-INDOL-3-YL}-4-(1H-INDOL-3-YL)-
1H-PYRROLE-2,5-DIONE
A1XWS0.72
BI13-{1-[3-(DIMETHYLAMINO)PROPYL]-
1H-INDOL-3-YL}-4-(1H-INDOL-3-YL)-
1H-PYRROLE-2,5-DIONE
B2BIK0.72
BI13-{1-[3-(DIMETHYLAMINO)PROPYL]-
1H-INDOL-3-YL}-4-(1H-INDOL-3-YL)-
1H-PYRROLE-2,5-DIONE
A1ZRZ0.72
BI13-{1-[3-(DIMETHYLAMINO)PROPYL]-
1H-INDOL-3-YL}-4-(1H-INDOL-3-YL)-
1H-PYRROLE-2,5-DIONE
B2BIL0.72
BI13-{1-[3-(DIMETHYLAMINO)PROPYL]-
1H-INDOL-3-YL}-4-(1H-INDOL-3-YL)-
1H-PYRROLE-2,5-DIONE
A1UU80.72
BI83-[1-(3-AMINOPROPYL)-1H-INDOL-3-
YL]-4-(1-METHYL-1H-INDOL-3-YL)-
1H-PYRROLE-2,5-DIONE
A,B2VD50.7
BI83-[1-(3-AMINOPROPYL)-1H-INDOL-3-
YL]-4-(1-METHYL-1H-INDOL-3-YL)-
1H-PYRROLE-2,5-DIONE
A1UVR0.7
BI23-(1H-INDOL-3-YL)-4-(1-{2-[(2S)-
1-METHYLPYRROLIDINYL]ETHYL}-1H-
INDOL-3-YL)-1H-PYRROLE-2,5-DIONE
A1UU70.7
LTNL-TRYPTOPHANAMIDEA1MAU0.71
LTNL-TRYPTOPHANAMIDEA,B2QUI0.71
BI43-(1H-INDOL-3-YL)-4-{1-[2-(1-METHYLPYRROLIDIN-
2-YL)ETHYL]-1H-INDOL-3-YL}-1H-PYRROLE-
2,5-DIONE
A,B1SZM0.7
BI33-[1-(3-AMINOPROPYL)-1H-INDOL-3-
YL]-4-(1H-INDOL-3-YL)-1H-PYRROLE-
2,5-DIONE
A1UU90.71
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
AYM3-(6-AMINOPYRIDIN-3-YL)-N-METHYL-
N-[(1-METHYL-1H-INDOL-2-YL)METHYL]ACRYLAMIDE
A,B1LXC0.7
19AN,N-DIMETHYL-4-(4-PHENYL-1H-PYRAZOL-
3-YL)-1H-PYRROLE-2-CARBOXAMIDE
A2OJG0.71
TSR2-(1H-INDOL-3-YL)ACETAMIDED,H2OJY0.71
TSR2-(1H-INDOL-3-YL)ACETAMIDEA,D,H2OIZ0.71
L123-(2-PYRIDIN-4-YLETHYL)-1H-INDOLEA1W840.7
SRS4-METHYL-3-(9-OXO-1,8-DIAZA-TRICYCLO[10.6.1.0(13,18)]NONADECA-
12(19),13(18),15,17-TETRAENE-10-
CARBAMOYL)PENTA-METHYLSULFONEDIIMINE
A1MMR0.71
MIB(3E)-4-(1-METHYL-1H-INDOL-3-YL)BUT-
3-EN-2-ONE
A1ZS50.7
C532-IMINO-5-(1-PYRIDIN-2-YL-METH-
(E)-YLIDENE)-1,3-THIAZOLIDIN-4-
ONE
A2V0D0.79
4643-[5-({5-[(AMINOCARBONYL)AMINO]-
2-OXO-2H-INDOL-3-YL}METHYL)-1H-
PYRROL-3-YL]-N-(2-PIPERIDIN-1-YLETHYL)BENZAMIDE
A2PE20.71
SBBN-[2-(1H-INDOL-5-YL)-BUTYL]-4-SULFAMOYL-
BENZAMIDE
A1IF90.7
C8C2-amino-6-[2-(1H-indol-6-yl)ethyl]pyrimidin-
4(3H)-one
A2VA50.71
K88(3Z)-N,N-DIMETHYL-2-OXO-3-(4,5,6,7-
TETRAHYDRO-1H-INDOL-2-YLMETHYLIDENE)-
2,3-DIHYDRO-1H-INDOLE-5-SULFONAMIDE
A,D2WEL0.71
QYT(5E)-5-(QUINOXALIN-6-YLMETHYLENE)-
1,3-THIAZOLIDINE-2,4-DIONE
A2A5U0.74
DRNBISINDOLYLMALEIMIDE IXA2V7O0.7
5171-{2-OXO-3-[(1R)-1-(1H-PYRROL-2-
YL)ETHYL]-2H-INDOL-5-YL}UREA
A2PE10.75
34Q(3R,4R)-4-(pyrrolidin-1-ylcarbonyl)-
1-(quinoxalin-2-ylcarbonyl)pyrrolidin-
3-amine
A2RIP0.72
TSH2-(1H-INDOL-3-YL)ETHANIMINED,H2AGY0.72
TSH2-(1H-INDOL-3-YL)ETHANIMINED,H2AH00.72
TSH2-(1H-INDOL-3-YL)ETHANIMINED,H2AGX0.72
2781-(1-methyl-1H-pyrrol-2-yl)methanamineX2RBV0.72
INDINDOLEA1L4H0.71
INDINDOLEA,B,G1O7N0.71
INDINDOLEA185L0.71
INDINDOLEA,B1EG90.71
INDINDOLEA,B1UUV0.71
INDINDOLEA,C,E2B240.71
INDINDOLEA,B,C,D,E,F2P850.71