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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00598045

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
MIB(3E)-4-(1-METHYL-1H-INDOL-3-YL)BUT-
3-EN-2-ONE
A1ZS50.76
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
INDINDOLEA1L4H0.75
INDINDOLEA,B,G1O7N0.75
INDINDOLEA185L0.75
INDINDOLEA,B1EG90.75
INDINDOLEA,B1UUV0.75
INDINDOLEA,C,E2B240.75
INDINDOLEA,B,C,D,E,F2P850.75
2781-(1-methyl-1H-pyrrol-2-yl)methanamineX2RBV0.82
APY2-AMINOMETHYL-PYRIDINEA,B,I1HIV0.75
APY2-AMINOMETHYL-PYRIDINEI1IVP0.75
23M2-(3-METHYLPHENYL)-1H-INDOLE-5-
CARBOXIMIDAMIDE
A2G5N0.71
C08difluoro(5-{2-[(5-octyl-1H-pyrrol-
2-yl-kappaN)methylidene]-2H-pyrrol-
5-yl-kappaN}pentanoato)boron
A,B2ZK60.71
3MP3-METHYLPYRIDINEA1EUB0.7
3MP3-METHYLPYRIDINEA1BM60.7
CRZ4-(9H-CARBAZOL-9-YL)BUTANOIC ACIDA1TOW0.7
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
1UW60.76
NCT(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINEA1P2Y0.76
NCT(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINEA1P7R0.76
2862-ethenyl-1-methylpyridiniumX2RC20.81
AUP2-(2-PHENYL-3-PYRIDIN-2-YL-4,5,6,7-
TETRAHYDRO-2H-ISOPHOSPHINDOL-1-
YL)PYRIDINE
A2AAQ0.73
0471-CYCLOHEXYL-N-{[1-(4-METHYLPHENYL)-
1H-INDOL-3-YL]METHYL}METHANAMINE
A,B2PJL0.74
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
SB9HYDROXY[3-(6-METHYLPYRIDIN-2-YL)PROPYL]FORMAMIDEP2AIE0.74
2755-amino-1,2-dimethylpyridiniumX2RBW0.76
2MI2-METHYL-1H-INDOLEA2PIO0.76
HBP1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIMEA,B2GYV0.75
HBP1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIMEA,B2JF00.75
9CA9H-CARBAZOLEA,B,C,D,E,F2DE70.71
11XN-(pyridin-3-ylmethyl)anilineA3EJ00.7
L123-(2-PYRIDIN-4-YLETHYL)-1H-INDOLEA1W840.74