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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01638936

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
TSH2-(1H-INDOL-3-YL)ETHANIMINED,H2AGY0.8
TSH2-(1H-INDOL-3-YL)ETHANIMINED,H2AH00.8
TSH2-(1H-INDOL-3-YL)ETHANIMINED,H2AGX0.8
LL13-pyridin-4-yl-1H-indazoleA3DNE0.7
L123-(2-PYRIDIN-4-YLETHYL)-1H-INDOLEA1W840.79
2755-amino-1,2-dimethylpyridiniumX2RBW0.77
2AP2-AMINOPYRIDINEA1AEO0.73
GG54-[3-(4-FLUOROPHENYL)-1H-PYRAZOL-
4-YL]PYRIDINE
A3HVC0.71
C8C2-amino-6-[2-(1H-indol-6-yl)ethyl]pyrimidin-
4(3H)-one
A2VA50.7
0471-CYCLOHEXYL-N-{[1-(4-METHYLPHENYL)-
1H-INDOL-3-YL]METHYL}METHANAMINE
A,B2PJL0.73
OWLN-1H-imidazol-2-yl-N'-[4-(1H-imidazol-
2-ylamino)phenyl]benzene-1,4-diamine
A,G3FSI0.73
5MP5-METHYLPYRROLEA1LI60.73
2MI2-METHYL-1H-INDOLEA2PIO0.74
PIM4-PHENYL-1H-IMIDAZOLEA,B2D0T0.71
PIM4-PHENYL-1H-IMIDAZOLEA1E9X0.71
PIM4-PHENYL-1H-IMIDAZOLEA1PHD0.71
PIM4-PHENYL-1H-IMIDAZOLEA,B,C,D2RFC0.71
PIM4-PHENYL-1H-IMIDAZOLEA1ODO0.71
PIM4-PHENYL-1H-IMIDAZOLEA3E5K0.71
PIM4-PHENYL-1H-IMIDAZOLEA1PHE0.71
PIM4-PHENYL-1H-IMIDAZOLEA,B1F4T0.71
PIM4-PHENYL-1H-IMIDAZOLEA1S1F0.71
PIM4-PHENYL-1H-IMIDAZOLEA1PHF0.71
3AP3-AMINOPYRIDINEA1AEF0.79
C532-IMINO-5-(1-PYRIDIN-2-YL-METH-
(E)-YLIDENE)-1,3-THIAZOLIDIN-4-
ONE
A2V0D0.71
2781-(1-methyl-1H-pyrrol-2-yl)methanamineX2RBV0.85
5IQISOQUINOLIN-5-AMINEA,B2F2T0.7
TSR2-(1H-INDOL-3-YL)ACETAMIDED,H2OJY0.73
TSR2-(1H-INDOL-3-YL)ACETAMIDEA,D,H2OIZ0.73
4AP4-AMINOPYRIDINEA1AEG0.78
APY2-AMINOMETHYL-PYRIDINEA,B,I1HIV0.8
APY2-AMINOMETHYL-PYRIDINEI1IVP0.8
NTNISONICOTINAMIDINEA7ADH0.7
INDINDOLEA1L4H0.8
INDINDOLEA,B,G1O7N0.8
INDINDOLEA185L0.8
INDINDOLEA,B1EG90.8
INDINDOLEA,B1UUV0.8
INDINDOLEA,C,E2B240.8
INDINDOLEA,B,C,D,E,F2P850.8
NCT(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P,Q,R,
S,T
1UW60.73
NCT(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINEA1P2Y0.73
NCT(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINEA1P7R0.73
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
6IP6-[2-(1H-INDOL-6-YL)ETHYL]PYRIDIN-
2-AMINE
A2OHP0.73
NPMN-[(1E)-PYRIDIN-2-YLMETHYLENE]-
N-[4-(4-{[(1E)-PYRIDIN-2-YLMETHYLENE]AMINO}BENZYL)PHENYL]AMINE
A,B2ET00.7
3MP3-METHYLPYRIDINEA1EUB0.71
3MP3-METHYLPYRIDINEA1BM60.71
9DA9-DEAZAADENINEA1L1R0.71
9DA9-DEAZAADENINEA1L1Q0.71
EPJEPIBATIDINEA,B,C,D,E2BYQ0.72
HBP1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIMEA,B2GYV0.72
HBP1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIMEA,B2JF00.72
TPLTRYPTOPHANOLA1EE70.71
TSC(1S)-1-AMINO-2-(1H-INDOL-3-YL)ETHANOLD,H2AH00.7
TSC(1S)-1-AMINO-2-(1H-INDOL-3-YL)ETHANOLD,H2AGZ0.7
RBUA,B1BEX0.76
2862-ethenyl-1-methylpyridiniumX2RC20.78
LTNL-TRYPTOPHANAMIDEA1MAU0.73
LTNL-TRYPTOPHANAMIDEA,B2QUI0.73
11XN-(pyridin-3-ylmethyl)anilineA3EJ00.77
5171-{2-OXO-3-[(1R)-1-(1H-PYRROL-2-
YL)ETHYL]-2H-INDOL-5-YL}UREA
A2PE10.73