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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03449924

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
1SQISOQUINOLIN-1-AMINEA2OHK0.82
APY2-AMINOMETHYL-PYRIDINEA,B,I1HIV0.74
APY2-AMINOMETHYL-PYRIDINEI1IVP0.74
6IP6-[2-(1H-INDOL-6-YL)ETHYL]PYRIDIN-
2-AMINE
A2OHP0.71
IM4(2E)-1-[(6-chloropyridin-3-yl)methyl]-
N-nitroimidazolidin-2-imine
A,C,D,E2ZJU0.72
IM4(2E)-1-[(6-chloropyridin-3-yl)methyl]-
N-nitroimidazolidin-2-imine
A,B,C,D3C790.72
FYX4-(5-PYRIDIN-4-YL-1H-1,2,4-TRIAZOL-
3-YL)PYRIDINE-2-CARBONITRILE
A,B1V970.74
3AP3-AMINOPYRIDINEA1AEF0.72
NCANICOTINAMIDEA,B2E5D0.73
NCANICOTINAMIDEA,B,C,D2Z770.73
NCANICOTINAMIDEA,B1DMA0.73
NCANICOTINAMIDEA,B1ISM0.73
NCANICOTINAMIDEA,B1YC50.73
NCANICOTINAMIDEA2ZB70.73
NCANICOTINAMIDEA,B,C,D,E,F,
G,H
1R150.73
NCANICOTINAMIDEA,B2QQG0.73
NCANICOTINAMIDEA2OTV0.73
NCANICOTINAMIDEA2QHF0.73
NCANICOTINAMIDEA,B,C,D2C8A0.73
NCANICOTINAMIDEA,B2HJH0.73
NCANICOTINAMIDEA2A150.73
NCANICOTINAMIDEA2R6V0.73
NCANICOTINAMIDEA,B1ISI0.73
NCANICOTINAMIDEA,D,E2R9J0.73
NCANICOTINAMIDEA2H4J0.73
NCANICOTINAMIDEA,B2OD90.73
NCANICOTINAMIDEA,B,C,D,E1YC20.73
NCANICOTINAMIDEA,B3DZG0.73
NCANICOTINAMIDEA1OJU0.73
GVH1H-PYRROLO[2,3-B]PYRIDINEA2UVX0.76
AT2ETHYL 4-[(4-METHYLPYRIDIN-2-YL)AMINO]PIPERIDINE-
1-CARBOXYLATE
A,B3E7S0.74
AT2ETHYL 4-[(4-METHYLPYRIDIN-2-YL)AMINO]PIPERIDINE-
1-CARBOXYLATE
A,B3E7M0.74
AT2ETHYL 4-[(4-METHYLPYRIDIN-2-YL)AMINO]PIPERIDINE-
1-CARBOXYLATE
A,B,C,D3E7G0.74
SCF5-(2-fluorophenyl)-N-(pyridin-4-
ylmethyl)pyrazolo[1,5-a]pyrimidin-
7-amine
A2R3I0.71
RW14-phenylpyrimidineA,B,C3B9S0.74
AS34-METHYL-6-PROPYLPYRIDIN-2-AMINEA,B3E6N0.76
5IQISOQUINOLIN-5-AMINEA,B2F2T0.71
PY23-(MERCAPTOMETHYLENE)PYRIDINEA,B1IDA0.78
2755-amino-1,2-dimethylpyridiniumX2RBW0.72
ISZ4-(DIAZENYLCARBONYL)PYRIDINEA,B,C,D1W6F0.73
ISZ4-(DIAZENYLCARBONYL)PYRIDINEA2V2E0.73
ISZ4-(DIAZENYLCARBONYL)PYRIDINEX2VCF0.73
ISZ4-(DIAZENYLCARBONYL)PYRIDINEA2VCS0.73
ISZ4-(DIAZENYLCARBONYL)PYRIDINEA2VCN0.73
ISZ4-(DIAZENYLCARBONYL)PYRIDINEA,B1XR30.73
SCJ3-bromo-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-
a]pyrimidin-7-amine
A2R3J0.7
PY7PYRIDIN-4-YLMETHANOLA2EUR0.7
MPIIMIDAZO[1,2-A]PYRIDINEA1AEM0.71
IMB[(ISOQUINOLIN-1-YLAMINO)-PHOSPHONO-
METHYL]-PHOSPHONIC ACID
A,B1T1R0.75
LG45-METHYLPYRIDIN-2-AMINEA2EUP0.92
PIQ2-AMINO-1-METHYL-6-PHENYLIMIDAZO[4,5-
B]PYRIDINE
A,B2QXM0.7
PIQ2-AMINO-1-METHYL-6-PHENYLIMIDAZO[4,5-
B]PYRIDINE
A1HZ00.7
6SC3-bromo-5-phenyl-N-(pyridin-4-ylmethyl)pyrazolo[1,5-
a]pyrimidin-7-amine
A2R3R0.7
11XN-(pyridin-3-ylmethyl)anilineA3EJ00.76
CBQ[(5-CHLORO-PYRIDIN-2-YLAMINO)-PHOSPHONO-
METHYL]-PHOSPHONIC ACID
A,B1T1S0.73
PYS2-PYRIDINETHIOLA,B1CTE0.71
PYS2-PYRIDINETHIOLA2IPP0.71
OBI1,1'-(OXYDIMETHYLENE)BIS(4-FORMYLPYRIDINIUM)DIOXIMEA,B2GYW0.72
T274-{[4-({4-[(E)-2-cyanoethenyl]-
2,6-dimethylphenyl}amino)pyrimidin-
2-yl]amino}benzonitrile
A,B2ZD10.71
T274-{[4-({4-[(E)-2-cyanoethenyl]-
2,6-dimethylphenyl}amino)pyrimidin-
2-yl]amino}benzonitrile
A2ZE20.71
T274-{[4-({4-[(E)-2-cyanoethenyl]-
2,6-dimethylphenyl}amino)pyrimidin-
2-yl]amino}benzonitrile
A,B3BGR0.71
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
2AP2-AMINOPYRIDINEA1AEO0.83
8IPN~3~-(3-PYRIDIN-3-YLBENZYL)PYRIDINE-
2,3-DIAMINE
A2OHR0.75
SPY4-HYDROSULFONYLPYRIDINEA,B1IDB0.7
SCZ3-cyclopropyl-5-phenyl-N-(pyridin-
3-ylmethyl)pyrazolo[1,5-a]pyrimidin-
7-amine
A2R3N0.7
SCE3-methyl-N-(pyridin-4-ylmethyl)imidazo[1,2-
a]pyrazin-8-amine
A2R3H0.71
4AP4-AMINOPYRIDINEA1AEG0.72
U73N-(5-ISOPROPYL-THIAZOL-2-YL)-2-
PYRIDIN-3-YL-ACETAMIDE
A2BTR0.7
BVF4-METHYLPYRIDIN-2-AMINEA,B3E670.89
BVF4-METHYLPYRIDIN-2-AMINEA2EUT0.89
2862-ethenyl-1-methylpyridiniumX2RC20.73
3MP3-METHYLPYRIDINEA1EUB0.82
3MP3-METHYLPYRIDINEA1BM60.82
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
2AQQUINOLIN-2-AMINEA2OHL0.71
2181-[(4-AMINO-2-METHYLPYRIMIDIN-5-
YL)METHYL]-3-(2-HYDROXYETHYL)-2-
METHYLPYRIDINIUM
A2HOP0.71
TPB4-[4-(2,4,6-TRIMETHYL-PHENYLAMINO)-
PYRIMIDIN-2-YLAMINO]-BENZONITRILE
A1S6Q0.71
DA1PYRIDINE-2,5-DIAMINEA2AQD0.83
8APN~3~-BENZYLPYRIDINE-2,3-DIAMINEA2OHM0.8
NTNISONICOTINAMIDINEA7ADH0.84
26DPYRIDINE-2,6-DIAMINEA2ANZ0.79
C4CN-(4-chlorobenzyl)-N',N'-dimethyl-
N-pyridin-2-ylethane-1,2-diamine
A2RA70.75
PYF3-PYRIDINYLCARBINOLA,B1R160.71
1BY[2-(PYRIDIN-2-YLAMINO)ETHANE-1,1-
DIYL]BIS(PHOSPHONIC ACID)
A,B2I190.77
ISQISOQUINOLINEA1GDK0.73