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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02857035

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
LG45-METHYLPYRIDIN-2-AMINEA2EUP0.89
TPB4-[4-(2,4,6-TRIMETHYL-PHENYLAMINO)-
PYRIMIDIN-2-YLAMINO]-BENZONITRILE
A1S6Q0.72
PYI1-[(4-AMINO-2-METHYLPYRIMIDIN-5-
YL)METHYL]-3-(2-{[HYDROXY(PHOSPHONOOXY)PHOSPHORYL]OXY}ETHYL)-
2-METHYLPYRIDINIUM
A,B2F170.78
PYI1-[(4-AMINO-2-METHYLPYRIMIDIN-5-
YL)METHYL]-3-(2-{[HYDROXY(PHOSPHONOOXY)PHOSPHORYL]OXY}ETHYL)-
2-METHYLPYRIDINIUM
A,B3D2V0.78
NTNISONICOTINAMIDINEA7ADH0.79
OBI1,1'-(OXYDIMETHYLENE)BIS(4-FORMYLPYRIDINIUM)DIOXIMEA,B2GYW0.75
6IP6-[2-(1H-INDOL-6-YL)ETHYL]PYRIDIN-
2-AMINE
A2OHP0.71
RIS1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-
PHOSPHONIC ACID
A1YV50.73
RIS1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-
PHOSPHONIC ACID
A,B1RQJ0.73
RIS1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-
PHOSPHONIC ACID
A1YQ70.73
RIS1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-
PHOSPHONIC ACID
A1YHL0.73
RIS1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-
PHOSPHONIC ACID
A2QIS0.73
RIS1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-
PHOSPHONIC ACID
A,B2O1O0.73
HM25-CHLORO-6-METHYL-N-(2-PHENYLETHYL)-
2-PYRIDIN-2-YLPYRIMIDIN-4-AMINE
A2G6P0.7
N1TA,B1TKB0.74
U73N-(5-ISOPROPYL-THIAZOL-2-YL)-2-
PYRIDIN-3-YL-ACETAMIDE
A2BTR0.71
5IQISOQUINOLIN-5-AMINEA,B2F2T0.71
1SQISOQUINOLIN-1-AMINEA2OHK0.8
NCANICOTINAMIDEA,B2E5D0.7
NCANICOTINAMIDEA,B,C,D2Z770.7
NCANICOTINAMIDEA,B1DMA0.7
NCANICOTINAMIDEA,B1ISM0.7
NCANICOTINAMIDEA,B1YC50.7
NCANICOTINAMIDEA2ZB70.7
NCANICOTINAMIDEA,B,C,D,E,F,
G,H
1R150.7
NCANICOTINAMIDEA,B2QQG0.7
NCANICOTINAMIDEA2OTV0.7
NCANICOTINAMIDEA2QHF0.7
NCANICOTINAMIDEA,B,C,D2C8A0.7
NCANICOTINAMIDEA,B2HJH0.7
NCANICOTINAMIDEA2A150.7
NCANICOTINAMIDEA2R6V0.7
NCANICOTINAMIDEA,B1ISI0.7
NCANICOTINAMIDEA,D,E2R9J0.7
NCANICOTINAMIDEA2H4J0.7
NCANICOTINAMIDEA,B2OD90.7
NCANICOTINAMIDEA,B,C,D,E1YC20.7
NCANICOTINAMIDEA,B3DZG0.7
NCANICOTINAMIDEA1OJU0.7
L1B7-(2,4-DIAMINO-6-ETHYLPYRIMIDIN-
5-YL)-1-(3-METHOXYPROPYL)QUINOLINIUM
A,B2G210.71
1BY[2-(PYRIDIN-2-YLAMINO)ETHANE-1,1-
DIYL]BIS(PHOSPHONIC ACID)
A,B2I190.81
BVF4-METHYLPYRIDIN-2-AMINEA,B3E670.87
BVF4-METHYLPYRIDIN-2-AMINEA2EUT0.87
PY23-(MERCAPTOMETHYLENE)PYRIDINEA,B1IDA0.74
AYM3-(6-AMINOPYRIDIN-3-YL)-N-METHYL-
N-[(1-METHYL-1H-INDOL-2-YL)METHYL]ACRYLAMIDE
A,B1LXC0.7
RW14-phenylpyrimidineA,B,C3B9S0.72
89I5-[4-(DIMETHYLAMINO)PHENYL]-6-[(6-
MORPHOLIN-4-YLPYRIDIN-3-YL)ETHYNYL]PYRIMIDIN-
4-AMINE
A,B2I6B0.71
3MP3-METHYLPYRIDINEA1EUB0.77
3MP3-METHYLPYRIDINEA1BM60.77
JI13-({(3S,4S)-4-[(6-aminopyridin-
2-yl)methyl]pyrrolidin-3-yl}amino)propan-
1-ol
A,B3B3M0.72
2862-ethenyl-1-methylpyridiniumX2RC20.71
2181-[(4-AMINO-2-METHYLPYRIMIDIN-5-
YL)METHYL]-3-(2-HYDROXYETHYL)-2-
METHYLPYRIDINIUM
A2HOP0.75
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
IMB[(ISOQUINOLIN-1-YLAMINO)-PHOSPHONO-
METHYL]-PHOSPHONIC ACID
A,B1T1R0.78
11XN-(pyridin-3-ylmethyl)anilineA3EJ00.75
3643-BIPHENYL-3-YL-1-(2-HYDROXY-2,2-
DIPHOSPHONOETHYL)PYRIDINIUM
A,B2E940.7
8IPN~3~-(3-PYRIDIN-3-YLBENZYL)PYRIDINE-
2,3-DIAMINE
A2OHR0.75
CBQ[(5-CHLORO-PYRIDIN-2-YLAMINO)-PHOSPHONO-
METHYL]-PHOSPHONIC ACID
A,B1T1S0.76
DA1PYRIDINE-2,5-DIAMINEA2AQD0.79
G444-({[4-(3-METHYLBENZOYL)PYRIDIN-
2-YL]AMINO}METHYL)BENZENECARBOXIMIDAMIDE
C,D2PKS0.71
2755-amino-1,2-dimethylpyridiniumX2RBW0.71
ISQISOQUINOLINEA1GDK0.7
A11ETHYL 4-[(4-CHLOROPYRIDIN-2-YL)AMINO]PIPERIDINE-
1-CARBOXYLATE
A,B3E6L0.75
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
2AQQUINOLIN-2-AMINEA2OHL0.71
PY7PYRIDIN-4-YLMETHANOLA2EUR0.71
2AP2-AMINOPYRIDINEA1AEO0.8
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
1UW60.73
NCT(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINEA1P2Y0.73
NCT(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINEA1P7R0.73
AT2ETHYL 4-[(4-METHYLPYRIDIN-2-YL)AMINO]PIPERIDINE-
1-CARBOXYLATE
A,B3E7S0.8
AT2ETHYL 4-[(4-METHYLPYRIDIN-2-YL)AMINO]PIPERIDINE-
1-CARBOXYLATE
A,B3E7M0.8
AT2ETHYL 4-[(4-METHYLPYRIDIN-2-YL)AMINO]PIPERIDINE-
1-CARBOXYLATE
A,B,C,D3E7G0.8
MILMILRINONEA,B1TLM0.71
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
NI93-FLUORO-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUMA2OPM0.71
NI93-FLUORO-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUMA,B3DYF0.71
NI93-FLUORO-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUMA,B3DYG0.71
GVH1H-PYRROLO[2,3-B]PYRIDINEA2UVX0.73
8APN~3~-BENZYLPYRIDINE-2,3-DIAMINEA2OHM0.8
AS34-METHYL-6-PROPYLPYRIDIN-2-AMINEA,B3E6N0.75
T274-{[4-({4-[(E)-2-cyanoethenyl]-
2,6-dimethylphenyl}amino)pyrimidin-
2-yl]amino}benzonitrile
A,B2ZD10.72
T274-{[4-({4-[(E)-2-cyanoethenyl]-
2,6-dimethylphenyl}amino)pyrimidin-
2-yl]amino}benzonitrile
A2ZE20.72
T274-{[4-({4-[(E)-2-cyanoethenyl]-
2,6-dimethylphenyl}amino)pyrimidin-
2-yl]amino}benzonitrile
A,B3BGR0.72
SX24-[(5-bromopyridin-2-yl)amino]-
4-oxobutanoic acid
A,B3CJ00.7
OPN{(2-AMINO-ETHYL)-[2-(2-OXO-1,2-
DIHYDRO-[1,8]NAPHTHYRIDIN-3-YL)-
ACETYL]-AMINO}-ACETIC ACID
A,B,C,D1HZS0.71
C4CN-(4-chlorobenzyl)-N',N'-dimethyl-
N-pyridin-2-ylethane-1,2-diamine
A2RA70.75
PYF3-PYRIDINYLCARBINOLA,B1R160.71
APY2-AMINOMETHYL-PYRIDINEA,B,I1HIV0.71
APY2-AMINOMETHYL-PYRIDINEI1IVP0.71
26DPYRIDINE-2,6-DIAMINEA2ANZ0.76