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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02482590

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
BTR6-BROMO-TRYPTOPHANA1WCT0.72
IPLINDOLE-3-PROPANOL PHOSPHATEA,B1BEU0.7
IPLINDOLE-3-PROPANOL PHOSPHATEA,B1QOP0.7
IPLINDOLE-3-PROPANOL PHOSPHATEA,B2TRS0.7
IPLINDOLE-3-PROPANOL PHOSPHATEA1WXJ0.7
IPLINDOLE-3-PROPANOL PHOSPHATEA,B1KFC0.7
TSH2-(1H-INDOL-3-YL)ETHANIMINED,H2AGY0.8
TSH2-(1H-INDOL-3-YL)ETHANIMINED,H2AH00.8
TSH2-(1H-INDOL-3-YL)ETHANIMINED,H2AGX0.8
MIB(3E)-4-(1-METHYL-1H-INDOL-3-YL)BUT-
3-EN-2-ONE
A1ZS50.71
9CA9H-CARBAZOLEA,B,C,D,E,F2DE70.78
L123-(2-PYRIDIN-4-YLETHYL)-1H-INDOLEA1W840.79
MRX5-bromo-3-(pyrrolidin-1-ylsulfonyl)-
1H-indole-2-carboxamide
A2RF20.7
P831-(9-ethyl-9H-carbazol-3-yl)-N-
methylmethanamine
A,B2VUK0.74
DAP6-AMIDINE-2-(4-AMIDINO-PHENYL)INDOLEA1D300.77
DAP6-AMIDINE-2-(4-AMIDINO-PHENYL)INDOLEA432D0.77
0471-CYCLOHEXYL-N-{[1-(4-METHYLPHENYL)-
1H-INDOL-3-YL]METHYL}METHANAMINE
A,B2PJL0.73
RKAN,N'-(1H-PYRROLE-2,5-DIYLDI-4,1-
PHENYLENE)DIBENZENECARBOXIMIDAMIDE
A2GYX0.7
TPLTRYPTOPHANOLA1EE70.72
TSC(1S)-1-AMINO-2-(1H-INDOL-3-YL)ETHANOLD,H2AH00.71
TSC(1S)-1-AMINO-2-(1H-INDOL-3-YL)ETHANOLD,H2AGZ0.71
LL13-pyridin-4-yl-1H-indazoleA3DNE0.74
MHC3-MERCAPTO-1-(1,3,4,9-TETRAHYDRO-
B-CARBOLIN-2-YL)-PROPAN-1-ONE
A1NBP0.73
WSK(2S)-1-(3,6-DIBROMO-9H-CARBAZOL-
9-YL)-3-(DIMETHYLAMINO)PROPAN-2-
OL
A1T840.74
INDINDOLEA1L4H0.78
INDINDOLEA,B,G1O7N0.78
INDINDOLEA185L0.78
INDINDOLEA,B1EG90.78
INDINDOLEA,B1UUV0.78
INDINDOLEA,C,E2B240.78
INDINDOLEA,B,C,D,E,F2P850.78
9072-{5-[AMINO(IMINIO)METHYL]-1H-INDOL-
2-YL}-6-BROMO-4-METHYLBENZENOLATE
A1O3I0.72
9072-{5-[AMINO(IMINIO)METHYL]-1H-INDOL-
2-YL}-6-BROMO-4-METHYLBENZENOLATE
A1O3H0.72
22M2-(2-METHYLPHENYL)-1H-INDOLE-6-
CARBOXIMIDAMIDE
A2G5V0.77
TSR2-(1H-INDOL-3-YL)ACETAMIDED,H2OJY0.73
TSR2-(1H-INDOL-3-YL)ACETAMIDEA,D,H2OIZ0.73
MI22-(2-METHYLPHENYL)-1H-INDOLE-5-
CARBOXIMIDAMIDE
A2G8T0.77
TSS2-(1H-INDOL-3-YL)ETHANAMINEA,B,D,H2IUQ0.8
TSS2-(1H-INDOL-3-YL)ETHANAMINEA,B2FPB0.8
TSS2-(1H-INDOL-3-YL)ETHANAMINED,H2AGW0.8
TSS2-(1H-INDOL-3-YL)ETHANAMINEA2PQL0.8
2MI2-METHYL-1H-INDOLEA2PIO0.8
C8C2-amino-6-[2-(1H-indol-6-yl)ethyl]pyrimidin-
4(3H)-one
A2VA50.71
IP6N~3~-[3-(1H-INDOL-6-YL)BENZYL]PYRIDINE-
2,3-DIAMINE
A2OHT0.71
CT6(5Z)-5-(3-BROMOCYCLOHEXA-2,5-DIEN-
1-YLIDENE)-N-(PYRIDIN-4-YLMETHYL)-
1,5-DIHYDROPYRAZOLO[1,5-A]PYRIMIDIN-
7-AMINE
A2C680.7
5B15-bromo-1H-indazol-3-amineA3E620.71
6IP6-[2-(1H-INDOL-6-YL)ETHYL]PYRIDIN-
2-AMINE
A2OHP0.74
LTNL-TRYPTOPHANAMIDEA1MAU0.73
LTNL-TRYPTOPHANAMIDEA,B2QUI0.73
23M2-(3-METHYLPHENYL)-1H-INDOLE-5-
CARBOXIMIDAMIDE
A2G5N0.77