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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02113887

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
AUP2-(2-PHENYL-3-PYRIDIN-2-YL-4,5,6,7-
TETRAHYDRO-2H-ISOPHOSPHINDOL-1-
YL)PYRIDINE
A2AAQ0.72
4AP4-AMINOPYRIDINEA1AEG0.71
3MP3-METHYLPYRIDINEA1EUB0.74
3MP3-METHYLPYRIDINEA1BM60.74
NTNISONICOTINAMIDINEA7ADH0.71
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
1UW60.8
NCT(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINEA1P2Y0.8
NCT(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINEA1P7R0.8
NPMN-[(1E)-PYRIDIN-2-YLMETHYLENE]-
N-[4-(4-{[(1E)-PYRIDIN-2-YLMETHYLENE]AMINO}BENZYL)PHENYL]AMINE
A,B2ET00.71
TSH2-(1H-INDOL-3-YL)ETHANIMINED,H2AGY0.71
TSH2-(1H-INDOL-3-YL)ETHANIMINED,H2AH00.71
TSH2-(1H-INDOL-3-YL)ETHANIMINED,H2AGX0.71
MR31-METHYL-1H-PYRROLEX2OU00.74
3AP3-AMINOPYRIDINEA1AEF0.74
1PS3-PYRIDINIUM-1-YLPROPANE-1-SULFONATEA,B,C,D2RFQ0.72
1PS3-PYRIDINIUM-1-YLPROPANE-1-SULFONATEA,B,C,D,E,F2GA40.72
1PS3-PYRIDINIUM-1-YLPROPANE-1-SULFONATEA,B,C,D,E,F1R4P0.72
C532-IMINO-5-(1-PYRIDIN-2-YL-METH-
(E)-YLIDENE)-1,3-THIAZOLIDIN-4-
ONE
A2V0D0.71
APY2-AMINOMETHYL-PYRIDINEA,B,I1HIV0.82
APY2-AMINOMETHYL-PYRIDINEI1IVP0.82
MIB(3E)-4-(1-METHYL-1H-INDOL-3-YL)BUT-
3-EN-2-ONE
A1ZS50.72
2862-ethenyl-1-methylpyridiniumX2RC20.85
DA1PYRIDINE-2,5-DIAMINEA2AQD0.71
11XN-(pyridin-3-ylmethyl)anilineA3EJ00.74
D4GA,B,C,D2FDY0.71
HBP1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIMEA,B2GYV0.77
HBP1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIMEA,B2JF00.77
PYS2-PYRIDINETHIOLA,B1CTE0.7
PYS2-PYRIDINETHIOLA2IPP0.7
2781-(1-methyl-1H-pyrrol-2-yl)methanamineX2RBV0.91
TSS2-(1H-INDOL-3-YL)ETHANAMINEA,B,D,H2IUQ0.71
TSS2-(1H-INDOL-3-YL)ETHANAMINEA,B2FPB0.71
TSS2-(1H-INDOL-3-YL)ETHANAMINED,H2AGW0.71
TSS2-(1H-INDOL-3-YL)ETHANAMINEA2PQL0.71
2755-amino-1,2-dimethylpyridiniumX2RBW0.83
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