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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00013954

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
9DA9-DEAZAADENINEA1L1R0.73
9DA9-DEAZAADENINEA1L1Q0.73
LG45-METHYLPYRIDIN-2-AMINEA2EUP0.73
APY2-AMINOMETHYL-PYRIDINEA,B,I1HIV0.84
APY2-AMINOMETHYL-PYRIDINEI1IVP0.84
2781-(1-methyl-1H-pyrrol-2-yl)methanamineX2RBV0.9
2862-ethenyl-1-methylpyridiniumX2RC20.83
RBUA,B1BEX0.74
PY23-(MERCAPTOMETHYLENE)PYRIDINEA,B1IDA0.72
TSH2-(1H-INDOL-3-YL)ETHANIMINED,H2AGY0.8
TSH2-(1H-INDOL-3-YL)ETHANIMINED,H2AH00.8
TSH2-(1H-INDOL-3-YL)ETHANIMINED,H2AGX0.8
11XN-(pyridin-3-ylmethyl)anilineA3EJ00.8
9CA9H-CARBAZOLEA,B,C,D,E,F2DE70.7
L123-(2-PYRIDIN-4-YLETHYL)-1H-INDOLEA1W840.79
0471-CYCLOHEXYL-N-{[1-(4-METHYLPHENYL)-
1H-INDOL-3-YL]METHYL}METHANAMINE
A,B2PJL0.72
4AP4-AMINOPYRIDINEA1AEG0.83
C532-IMINO-5-(1-PYRIDIN-2-YL-METH-
(E)-YLIDENE)-1,3-THIAZOLIDIN-4-
ONE
A2V0D0.73
2MI2-METHYL-1H-INDOLEA2PIO0.75
2AP2-AMINOPYRIDINEA1AEO0.77
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
EPJEPIBATIDINEA,B,C,D,E2BYQ0.71
DA1PYRIDINE-2,5-DIAMINEA2AQD0.73
PYCPYRROLE-2-CARBOXYLATEA1W620.74
PYCPYRROLE-2-CARBOXYLATEA,B1L9D0.74
PYCPYRROLE-2-CARBOXYLATEA,B2CWH0.74
PYCPYRROLE-2-CARBOXYLATEA,B1W610.74
PYCPYRROLE-2-CARBOXYLATEA,B1ELI0.74
MR31-METHYL-1H-PYRROLEX2OU00.73
8APN~3~-BENZYLPYRIDINE-2,3-DIAMINEA2OHM0.71
INDINDOLEA1L4H0.82
INDINDOLEA,B,G1O7N0.82
INDINDOLEA185L0.82
INDINDOLEA,B1EG90.82
INDINDOLEA,B1UUV0.82
INDINDOLEA,C,E2B240.82
INDINDOLEA,B,C,D,E,F2P850.82
GG54-[3-(4-FLUOROPHENYL)-1H-PYRAZOL-
4-YL]PYRIDINE
A3HVC0.72
5MP5-METHYLPYRROLEA1LI60.79
5171-{2-OXO-3-[(1R)-1-(1H-PYRROL-2-
YL)ETHYL]-2H-INDOL-5-YL}UREA
A2PE10.72
5IQISOQUINOLIN-5-AMINEA,B2F2T0.72
LTNL-TRYPTOPHANAMIDEA1MAU0.72
LTNL-TRYPTOPHANAMIDEA,B2QUI0.72
LL13-pyridin-4-yl-1H-indazoleA3DNE0.71
GVH1H-PYRROLO[2,3-B]PYRIDINEA2UVX0.72
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
AUP2-(2-PHENYL-3-PYRIDIN-2-YL-4,5,6,7-
TETRAHYDRO-2H-ISOPHOSPHINDOL-1-
YL)PYRIDINE
A2AAQ0.71
1PS3-PYRIDINIUM-1-YLPROPANE-1-SULFONATEA,B,C,D2RFQ0.7
1PS3-PYRIDINIUM-1-YLPROPANE-1-SULFONATEA,B,C,D,E,F2GA40.7
1PS3-PYRIDINIUM-1-YLPROPANE-1-SULFONATEA,B,C,D,E,F1R4P0.7
HBP1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIMEA,B2GYV0.73
HBP1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIMEA,B2JF00.73
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
3AP3-AMINOPYRIDINEA1AEF0.83
TSR2-(1H-INDOL-3-YL)ACETAMIDED,H2OJY0.72
TSR2-(1H-INDOL-3-YL)ACETAMIDEA,D,H2OIZ0.72
NTNISONICOTINAMIDINEA7ADH0.74
3MP3-METHYLPYRIDINEA1EUB0.76
3MP3-METHYLPYRIDINEA1BM60.76
TPLTRYPTOPHANOLA1EE70.71
BZIBENZIMIDAZOLEA1RYC0.72
BZIBENZIMIDAZOLEA1L5F0.72
BZIBENZIMIDAZOLEA1KXM0.72
PYS2-PYRIDINETHIOLA,B1CTE0.72
PYS2-PYRIDINETHIOLA2IPP0.72
2755-amino-1,2-dimethylpyridiniumX2RBW0.82
BVF4-METHYLPYRIDIN-2-AMINEA,B3E670.72
BVF4-METHYLPYRIDIN-2-AMINEA2EUT0.72