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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02374323

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
HBP1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIMEA,B2GYV0.82
HBP1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIMEA,B2JF00.82
AUP2-(2-PHENYL-3-PYRIDIN-2-YL-4,5,6,7-
TETRAHYDRO-2H-ISOPHOSPHINDOL-1-
YL)PYRIDINE
A2AAQ0.77
D4GA,B,C,D2FDY0.75
DPT4,7-DIMETHYL-[1,10]PHENANTHROLINEA,B1I530.78
2862-ethenyl-1-methylpyridiniumX2RC20.8
RBUA,B1BEX0.75
4602-[5-(6-METHYLPYRIDIN-2-YL)-2,3-
DIHYDRO-1H-PYRAZOL-4-YL]-1,5-NAPHTHYRIDINE
A1VJY0.82
SB44-(4-FLUOROPHENYL)-1-(4-PIPERIDINYL)-
5-(2-AMINO-4-PYRIMIDINYL)-IMIDAZOLE
A1BL70.7
SB44-(4-FLUOROPHENYL)-1-(4-PIPERIDINYL)-
5-(2-AMINO-4-PYRIMIDINYL)-IMIDAZOLE
A3ERK0.7
MILMILRINONEA,B1TLM0.7
8APN~3~-BENZYLPYRIDINE-2,3-DIAMINEA2OHM0.72
OBI1,1'-(OXYDIMETHYLENE)BIS(4-FORMYLPYRIDINIUM)DIOXIMEA,B2GYW0.72
PF74-(quinolin-3-ylmethyl)piperidine-
1-carboxylic acid
A,B2VYA0.71
RW14-phenylpyrimidineA,B,C3B9S0.7
3MP3-METHYLPYRIDINEA1EUB0.72
3MP3-METHYLPYRIDINEA1BM60.72
NPMN-[(1E)-PYRIDIN-2-YLMETHYLENE]-
N-[4-(4-{[(1E)-PYRIDIN-2-YLMETHYLENE]AMINO}BENZYL)PHENYL]AMINE
A,B2ET00.79
JNFN-cyclohexyl-4-imidazo[1,2-a]pyridin-
3-yl-N-methylpyrimidin-2-amine
A3CGF0.72
SB9HYDROXY[3-(6-METHYLPYRIDIN-2-YL)PROPYL]FORMAMIDEP2AIE0.71
DA1PYRIDINE-2,5-DIAMINEA2AQD0.73
11XN-(pyridin-3-ylmethyl)anilineA3EJ00.75
2781-(1-methyl-1H-pyrrol-2-yl)methanamineX2RBV0.73
5IQISOQUINOLIN-5-AMINEA,B2F2T0.72
ISQISOQUINOLINEA1GDK0.72
4AP4-AMINOPYRIDINEA1AEG0.72
3AP3-AMINOPYRIDINEA1AEF0.76
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
1UW60.75
NCT(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINEA1P2Y0.75
NCT(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINEA1P7R0.75
NTNISONICOTINAMIDINEA7ADH0.7
CDA2-(6-CHLORO-3-{[2,2-DIFLUORO-2-
(2-PYRIDINYL)ETHYL]AMINO}-2-OXO-
1(2H)-PYRAZINYL)-N-[(2-FLUORO-6-
PYRIDINYL)METHYL]ACETAMIDE
B,C1MU60.72
QMSN-(QUINOLIN-8-YL)METHANESULFONAMIDEA2BB70.71
8IPN~3~-(3-PYRIDIN-3-YLBENZYL)PYRIDINE-
2,3-DIAMINE
A2OHR0.74
2755-amino-1,2-dimethylpyridiniumX2RBW0.8
PYS2-PYRIDINETHIOLA,B1CTE0.7
PYS2-PYRIDINETHIOLA2IPP0.7
APY2-AMINOMETHYL-PYRIDINEA,B,I1HIV0.81
APY2-AMINOMETHYL-PYRIDINEI1IVP0.81
PHN1,10-PHENANTHROLINEA1LIH0.79
PHN1,10-PHENANTHROLINEA2LIG0.79
PHN1,10-PHENANTHROLINEA,B2FU70.79
FPH3-(4-FLUOROPHENYL)-2-PYRIDIN-4-
YL-1H-PYRROLO[3,2-B]PYRIDIN-1-OL
A1OZ10.75