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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00012186

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
3MP3-METHYLPYRIDINEA1EUB0.73
3MP3-METHYLPYRIDINEA1BM60.73
L123-(2-PYRIDIN-4-YLETHYL)-1H-INDOLEA1W840.76
MILMILRINONEA,B1TLM0.72
DA1PYRIDINE-2,5-DIAMINEA2AQD0.72
2755-amino-1,2-dimethylpyridiniumX2RBW0.77
PYCPYRROLE-2-CARBOXYLATEA1W620.72
PYCPYRROLE-2-CARBOXYLATEA,B1L9D0.72
PYCPYRROLE-2-CARBOXYLATEA,B2CWH0.72
PYCPYRROLE-2-CARBOXYLATEA,B1W610.72
PYCPYRROLE-2-CARBOXYLATEA,B1ELI0.72
C532-IMINO-5-(1-PYRIDIN-2-YL-METH-
(E)-YLIDENE)-1,3-THIAZOLIDIN-4-
ONE
A2V0D0.72
11XN-(pyridin-3-ylmethyl)anilineA3EJ00.76
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
4AP4-AMINOPYRIDINEA1AEG0.82
9DA9-DEAZAADENINEA1L1R0.72
9DA9-DEAZAADENINEA1L1Q0.72
2862-ethenyl-1-methylpyridiniumX2RC20.76
5MP5-METHYLPYRROLEA1LI60.75
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
6IP6-[2-(1H-INDOL-6-YL)ETHYL]PYRIDIN-
2-AMINE
A2OHP0.7
GVH1H-PYRROLO[2,3-B]PYRIDINEA2UVX0.7
3AP3-AMINOPYRIDINEA1AEF0.83
2781-(1-methyl-1H-pyrrol-2-yl)methanamineX2RBV0.86
BZIBENZIMIDAZOLEA1RYC0.7
BZIBENZIMIDAZOLEA1L5F0.7
BZIBENZIMIDAZOLEA1KXM0.7
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
1UW60.72
NCT(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINEA1P2Y0.72
NCT(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINEA1P7R0.72
PYS2-PYRIDINETHIOLA,B1CTE0.7
PYS2-PYRIDINETHIOLA2IPP0.7
APY2-AMINOMETHYL-PYRIDINEA,B,I1HIV0.81
APY2-AMINOMETHYL-PYRIDINEI1IVP0.81
HBP1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIMEA,B2GYV0.7
HBP1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIMEA,B2JF00.7
RBUA,B1BEX0.71
PIM4-PHENYL-1H-IMIDAZOLEA,B2D0T0.7
PIM4-PHENYL-1H-IMIDAZOLEA1E9X0.7
PIM4-PHENYL-1H-IMIDAZOLEA1PHD0.7
PIM4-PHENYL-1H-IMIDAZOLEA,B,C,D2RFC0.7
PIM4-PHENYL-1H-IMIDAZOLEA1ODO0.7
PIM4-PHENYL-1H-IMIDAZOLEA3E5K0.7
PIM4-PHENYL-1H-IMIDAZOLEA1PHE0.7
PIM4-PHENYL-1H-IMIDAZOLEA,B1F4T0.7
PIM4-PHENYL-1H-IMIDAZOLEA1S1F0.7
PIM4-PHENYL-1H-IMIDAZOLEA1PHF0.7
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