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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03260683

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
4AP4-AMINOPYRIDINEA1AEG0.79
9DA9-DEAZAADENINEA1L1R0.73
9DA9-DEAZAADENINEA1L1Q0.73
PYCPYRROLE-2-CARBOXYLATEA1W620.7
PYCPYRROLE-2-CARBOXYLATEA,B1L9D0.7
PYCPYRROLE-2-CARBOXYLATEA,B2CWH0.7
PYCPYRROLE-2-CARBOXYLATEA,B1W610.7
PYCPYRROLE-2-CARBOXYLATEA,B1ELI0.7
L123-(2-PYRIDIN-4-YLETHYL)-1H-INDOLEA1W840.76
DA1PYRIDINE-2,5-DIAMINEA2AQD0.72
2MI2-METHYL-1H-INDOLEA2PIO0.7
2755-amino-1,2-dimethylpyridiniumX2RBW0.78
GVH1H-PYRROLO[2,3-B]PYRIDINEA2UVX0.71
RBUA,B1BEX0.75
INDINDOLEA1L4H0.77
INDINDOLEA,B,G1O7N0.77
INDINDOLEA185L0.77
INDINDOLEA,B1EG90.77
INDINDOLEA,B1UUV0.77
INDINDOLEA,C,E2B240.77
INDINDOLEA,B,C,D,E,F2P850.77
11XN-(pyridin-3-ylmethyl)anilineA3EJ00.76
BVF4-METHYLPYRIDIN-2-AMINEA,B3E670.71
BVF4-METHYLPYRIDIN-2-AMINEA2EUT0.71
C532-IMINO-5-(1-PYRIDIN-2-YL-METH-
(E)-YLIDENE)-1,3-THIAZOLIDIN-4-
ONE
A2V0D0.75
TSS2-(1H-INDOL-3-YL)ETHANAMINEA,B,D,H2IUQ0.77
TSS2-(1H-INDOL-3-YL)ETHANAMINEA,B2FPB0.77
TSS2-(1H-INDOL-3-YL)ETHANAMINED,H2AGW0.77
TSS2-(1H-INDOL-3-YL)ETHANAMINEA2PQL0.77
2AP2-AMINOPYRIDINEA1AEO0.77
BZIBENZIMIDAZOLEA1RYC0.71
BZIBENZIMIDAZOLEA1L5F0.71
BZIBENZIMIDAZOLEA1KXM0.71
5MP5-METHYLPYRROLEA1LI60.73
LG45-METHYLPYRIDIN-2-AMINEA2EUP0.72
8APN~3~-BENZYLPYRIDINE-2,3-DIAMINEA2OHM0.71
3AP3-AMINOPYRIDINEA1AEF0.79
5171-{2-OXO-3-[(1R)-1-(1H-PYRROL-2-
YL)ETHYL]-2H-INDOL-5-YL}UREA
A2PE10.72
PY23-(MERCAPTOMETHYLENE)PYRIDINEA,B1IDA0.71
PIM4-PHENYL-1H-IMIDAZOLEA,B2D0T0.73
PIM4-PHENYL-1H-IMIDAZOLEA1E9X0.73
PIM4-PHENYL-1H-IMIDAZOLEA1PHD0.73
PIM4-PHENYL-1H-IMIDAZOLEA,B,C,D2RFC0.73
PIM4-PHENYL-1H-IMIDAZOLEA1ODO0.73
PIM4-PHENYL-1H-IMIDAZOLEA3E5K0.73
PIM4-PHENYL-1H-IMIDAZOLEA1PHE0.73
PIM4-PHENYL-1H-IMIDAZOLEA,B1F4T0.73
PIM4-PHENYL-1H-IMIDAZOLEA1S1F0.73
PIM4-PHENYL-1H-IMIDAZOLEA1PHF0.73
APY2-AMINOMETHYL-PYRIDINEA,B,I1HIV0.8
APY2-AMINOMETHYL-PYRIDINEI1IVP0.8
6IP6-[2-(1H-INDOL-6-YL)ETHYL]PYRIDIN-
2-AMINE
A2OHP0.72
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
GG54-[3-(4-FLUOROPHENYL)-1H-PYRAZOL-
4-YL]PYRIDINE
A3HVC0.7
2862-ethenyl-1-methylpyridiniumX2RC20.77
2781-(1-methyl-1H-pyrrol-2-yl)methanamineX2RBV0.86
3MP3-METHYLPYRIDINEA1EUB0.71
3MP3-METHYLPYRIDINEA1BM60.71
HBP1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIMEA,B2GYV0.72
HBP1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIMEA,B2JF00.72
PYS2-PYRIDINETHIOLA,B1CTE0.72
PYS2-PYRIDINETHIOLA2IPP0.72
TSH2-(1H-INDOL-3-YL)ETHANIMINED,H2AGY0.77
TSH2-(1H-INDOL-3-YL)ETHANIMINED,H2AH00.77
TSH2-(1H-INDOL-3-YL)ETHANIMINED,H2AGX0.77
NTNISONICOTINAMIDINEA7ADH0.73