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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00019441

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
DA1PYRIDINE-2,5-DIAMINEA2AQD0.91
QMSN-(QUINOLIN-8-YL)METHANESULFONAMIDEA2BB70.72
11XN-(pyridin-3-ylmethyl)anilineA3EJ00.8
9DA9-DEAZAADENINEA1L1R0.74
9DA9-DEAZAADENINEA1L1Q0.74
APY2-AMINOMETHYL-PYRIDINEA,B,I1HIV0.85
APY2-AMINOMETHYL-PYRIDINEI1IVP0.85
D4GA,B,C,D2FDY0.74
C532-IMINO-5-(1-PYRIDIN-2-YL-METH-
(E)-YLIDENE)-1,3-THIAZOLIDIN-4-
ONE
A2V0D0.72
4AP4-AMINOPYRIDINEA1AEG0.83
8IPN~3~-(3-PYRIDIN-3-YLBENZYL)PYRIDINE-
2,3-DIAMINE
A2OHR0.76
3MP3-METHYLPYRIDINEA1EUB0.78
3MP3-METHYLPYRIDINEA1BM60.78
BZIBENZIMIDAZOLEA1RYC0.71
BZIBENZIMIDAZOLEA1L5F0.71
BZIBENZIMIDAZOLEA1KXM0.71
PHN1,10-PHENANTHROLINEA1LIH0.7
PHN1,10-PHENANTHROLINEA2LIG0.7
PHN1,10-PHENANTHROLINEA,B2FU70.7
2451-(2-chloropyridin-4-yl)-3-phenylureaA2QKN0.76
BVF4-METHYLPYRIDIN-2-AMINEA,B3E670.79
BVF4-METHYLPYRIDIN-2-AMINEA2EUT0.79
2461-benzyl-3-(2-chloropyridin-4-yl)ureaA2QPM0.72
JI2N-{(3S,4S)-4-[(6-aminopyridin-2-
yl)methyl]pyrrolidin-3-yl}ethane-
1,2-diamine
A,B3B3N0.71
JI2N-{(3S,4S)-4-[(6-aminopyridin-2-
yl)methyl]pyrrolidin-3-yl}ethane-
1,2-diamine
A,B3DQR0.71
NTNISONICOTINAMIDINEA7ADH0.8
1BY[2-(PYRIDIN-2-YLAMINO)ETHANE-1,1-
DIYL]BIS(PHOSPHONIC ACID)
A,B2I190.75
LG45-METHYLPYRIDIN-2-AMINEA2EUP0.8
2755-amino-1,2-dimethylpyridiniumX2RBW0.87
CBQ[(5-CHLORO-PYRIDIN-2-YLAMINO)-PHOSPHONO-
METHYL]-PHOSPHONIC ACID
A,B1T1S0.71
2AP2-AMINOPYRIDINEA1AEO0.82
SCE3-methyl-N-(pyridin-4-ylmethyl)imidazo[1,2-
a]pyrazin-8-amine
A2R3H0.71
ISQISOQUINOLINEA1GDK0.7
PY23-(MERCAPTOMETHYLENE)PYRIDINEA,B1IDA0.76
MILMILRINONEA,B1TLM0.71
HBP1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIMEA,B2GYV0.73
HBP1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIMEA,B2JF00.73
1SQISOQUINOLIN-1-AMINEA2OHK0.72
MPIIMIDAZO[1,2-A]PYRIDINEA1AEM0.74
5IQISOQUINOLIN-5-AMINEA,B2F2T0.74
L224-(2-amino-1,3-thiazol-4-yl)pyrimidin-
2-amine
A,B2W700.7
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,B1CTE0.77
PYS2-PYRIDINETHIOLA2IPP0.77
1PS3-PYRIDINIUM-1-YLPROPANE-1-SULFONATEA,B,C,D2RFQ0.73
1PS3-PYRIDINIUM-1-YLPROPANE-1-SULFONATEA,B,C,D,E,F2GA40.73
1PS3-PYRIDINIUM-1-YLPROPANE-1-SULFONATEA,B,C,D,E,F1R4P0.73
SPY4-HYDROSULFONYLPYRIDINEA,B1IDB0.74
2862-ethenyl-1-methylpyridiniumX2RC20.78
3AP3-AMINOPYRIDINEA1AEF0.9
26DPYRIDINE-2,6-DIAMINEA2ANZ0.76
8APN~3~-BENZYLPYRIDINE-2,3-DIAMINEA2OHM0.82
2781-(1-methyl-1H-pyrrol-2-yl)methanamineX2RBV0.77