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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02098605

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
JNFN-cyclohexyl-4-imidazo[1,2-a]pyridin-
3-yl-N-methylpyrimidin-2-amine
A3CGF0.73
LZL7-(2,5-dihydropyrrol-1-yl)-6-phenyl-
pyrido[6,5-d]pyrimidin-2-amine
A,B2V5A0.7
6IP6-[2-(1H-INDOL-6-YL)ETHYL]PYRIDIN-
2-AMINE
A2OHP0.71
C4CN-(4-chlorobenzyl)-N',N'-dimethyl-
N-pyridin-2-ylethane-1,2-diamine
A2RA70.76
MPIIMIDAZO[1,2-A]PYRIDINEA1AEM0.79
SB64-(4-FLUOROPHENYL)-1-CYCLOROPROPYLMETHYL-
5-(4-PYRIDYL)-IMIDAZOLE
A1BL60.74
BVF4-METHYLPYRIDIN-2-AMINEA,B3E670.8
BVF4-METHYLPYRIDIN-2-AMINEA2EUT0.8
3MP3-METHYLPYRIDINEA1EUB0.75
3MP3-METHYLPYRIDINEA1BM60.75
9DA9-DEAZAADENINEA1L1R0.75
9DA9-DEAZAADENINEA1L1Q0.75
PY23-(MERCAPTOMETHYLENE)PYRIDINEA,B1IDA0.72
3AP3-AMINOPYRIDINEA1AEF0.7
APY2-AMINOMETHYL-PYRIDINEA,B,I1HIV0.73
APY2-AMINOMETHYL-PYRIDINEI1IVP0.73
2755-amino-1,2-dimethylpyridiniumX2RBW0.72
RW14-phenylpyrimidineA,B,C3B9S0.75
8APN~3~-BENZYLPYRIDINE-2,3-DIAMINEA2OHM0.75
HDUN-[4-(2-METHYLIMIDAZO[1,2-A]PYRIDIN-
3-YL)-2-PYRIMIDINYL]ACETAMIDE
A1OIQ0.7
C4EN-phenyl-1H-pyrrolo[2,3-b]pyridin-
3-amine
A,B,C,D3C4E0.72
SC96-(2-fluorophenyl)-N-(pyridin-3-
ylmethyl)imidazo[1,2-a]pyrazin-
8-amine
A2R3G0.72
CBQ[(5-CHLORO-PYRIDIN-2-YLAMINO)-PHOSPHONO-
METHYL]-PHOSPHONIC ACID
A,B1T1S0.73
SB54-(FLUOROPHENYL)-1-CYCLOPROPYLMETHYL-
5-(2-AMINO-4-PYRIMIDINYL)IMIDAZOLE
A1BMK0.71
SCE3-methyl-N-(pyridin-4-ylmethyl)imidazo[1,2-
a]pyrazin-8-amine
A2R3H0.74
PIQ2-AMINO-1-METHYL-6-PHENYLIMIDAZO[4,5-
B]PYRIDINE
A,B2QXM0.73
PIQ2-AMINO-1-METHYL-6-PHENYLIMIDAZO[4,5-
B]PYRIDINE
A1HZ00.73
1BY[2-(PYRIDIN-2-YLAMINO)ETHANE-1,1-
DIYL]BIS(PHOSPHONIC ACID)
A,B2I190.79
D4GA,B,C,D2FDY0.72
HBP1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIMEA,B2GYV0.71
HBP1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIMEA,B2JF00.71
26DPYRIDINE-2,6-DIAMINEA2ANZ0.78
C532-IMINO-5-(1-PYRIDIN-2-YL-METH-
(E)-YLIDENE)-1,3-THIAZOLIDIN-4-
ONE
A2V0D0.71
SPY4-HYDROSULFONYLPYRIDINEA,B1IDB0.7
2781-(1-methyl-1H-pyrrol-2-yl)methanamineX2RBV0.75
NTNISONICOTINAMIDINEA7ADH0.77
1BN1-BENZYL-1H-IMIDAZOLEA,B2AFX0.73
2AP2-AMINOPYRIDINEA1AEO0.82
1CI1-(4-CHLOROPHENYL)-1H-IMIDAZOLEA,B,C,D,E,F,G2Q6N0.74
GVH1H-PYRROLO[2,3-B]PYRIDINEA2UVX0.78
ISQISOQUINOLINEA1GDK0.7
4AP4-AMINOPYRIDINEA1AEG0.7
IM4(2E)-1-[(6-chloropyridin-3-yl)methyl]-
N-nitroimidazolidin-2-imine
A,C,D,E2ZJU0.71
IM4(2E)-1-[(6-chloropyridin-3-yl)methyl]-
N-nitroimidazolidin-2-imine
A,B,C,D3C790.71
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
DA1PYRIDINE-2,5-DIAMINEA2AQD0.81
8IPN~3~-(3-PYRIDIN-3-YLBENZYL)PYRIDINE-
2,3-DIAMINE
A2OHR0.7
1SQISOQUINOLIN-1-AMINEA2OHK0.77
2862-ethenyl-1-methylpyridiniumX2RC20.77
LG45-METHYLPYRIDIN-2-AMINEA2EUP0.81
TH4{(2Z)-3-[(6-chloropyridin-3-yl)methyl]-
1,3-thiazolidin-2-ylidene}cyanamide
A,B,C,D,E3C840.72
11XN-(pyridin-3-ylmethyl)anilineA3EJ00.7
OBI1,1'-(OXYDIMETHYLENE)BIS(4-FORMYLPYRIDINIUM)DIOXIMEA,B2GYW0.71
AT2ETHYL 4-[(4-METHYLPYRIDIN-2-YL)AMINO]PIPERIDINE-
1-CARBOXYLATE
A,B3E7S0.71
AT2ETHYL 4-[(4-METHYLPYRIDIN-2-YL)AMINO]PIPERIDINE-
1-CARBOXYLATE
A,B3E7M0.71
AT2ETHYL 4-[(4-METHYLPYRIDIN-2-YL)AMINO]PIPERIDINE-
1-CARBOXYLATE
A,B,C,D3E7G0.71
PYS2-PYRIDINETHIOLA,B1CTE0.72
PYS2-PYRIDINETHIOLA2IPP0.72
A11ETHYL 4-[(4-CHLOROPYRIDIN-2-YL)AMINO]PIPERIDINE-
1-CARBOXYLATE
A,B3E6L0.7
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
JI2N-{(3S,4S)-4-[(6-aminopyridin-2-
yl)methyl]pyrrolidin-3-yl}ethane-
1,2-diamine
A,B3B3N0.7
JI2N-{(3S,4S)-4-[(6-aminopyridin-2-
yl)methyl]pyrrolidin-3-yl}ethane-
1,2-diamine
A,B3DQR0.7
IMB[(ISOQUINOLIN-1-YLAMINO)-PHOSPHONO-
METHYL]-PHOSPHONIC ACID
A,B1T1R0.71