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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03099234

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
8APN~3~-BENZYLPYRIDINE-2,3-DIAMINEA2OHM0.78
2862-ethenyl-1-methylpyridiniumX2RC20.82
L123-(2-PYRIDIN-4-YLETHYL)-1H-INDOLEA1W840.76
PHN1,10-PHENANTHROLINEA1LIH0.73
PHN1,10-PHENANTHROLINEA2LIG0.73
PHN1,10-PHENANTHROLINEA,B2FU70.73
7933-{[(1R)-1-phenylethyl]amino}-4-
(pyridin-4-ylamino)cyclobut-3-ene-
1,2-dione
A3FPM0.75
U73N-(5-ISOPROPYL-THIAZOL-2-YL)-2-
PYRIDIN-3-YL-ACETAMIDE
A2BTR0.76
THATACRINEA,B2AOW0.71
THATACRINEA,B,C,D,E,F1MX10.71
THATACRINEA,B2AOX0.71
THATACRINEA1ACJ0.71
NI93-FLUORO-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUMA2OPM0.73
NI93-FLUORO-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUMA,B3DYF0.73
NI93-FLUORO-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUMA,B3DYG0.73
IQP1-(5-ISOQUINOLINESULFONYL)-2-METHYLPIPERAZINEE1YDR0.73
TSS2-(1H-INDOL-3-YL)ETHANAMINEA,B,D,H2IUQ0.75
TSS2-(1H-INDOL-3-YL)ETHANAMINEA,B2FPB0.75
TSS2-(1H-INDOL-3-YL)ETHANAMINED,H2AGW0.75
TSS2-(1H-INDOL-3-YL)ETHANAMINEA2PQL0.75
PY23-(MERCAPTOMETHYLENE)PYRIDINEA,B1IDA0.86
1SQISOQUINOLIN-1-AMINEA2OHK0.8
IMB[(ISOQUINOLIN-1-YLAMINO)-PHOSPHONO-
METHYL]-PHOSPHONIC ACID
A,B1T1R0.73
INDINDOLEA1L4H0.73
INDINDOLEA,B,G1O7N0.73
INDINDOLEA185L0.73
INDINDOLEA,B1EG90.73
INDINDOLEA,B1UUV0.73
INDINDOLEA,C,E2B240.73
INDINDOLEA,B,C,D,E,F2P850.73
5MP5-METHYLPYRROLEA1LI60.7
3MP3-METHYLPYRIDINEA1EUB0.92
3MP3-METHYLPYRIDINEA1BM60.92
RW14-phenylpyrimidineA,B,C3B9S0.73
2461-benzyl-3-(2-chloropyridin-4-yl)ureaA2QPM0.74
4AP4-AMINOPYRIDINEA1AEG0.83
1CM(2R)-2-PHENYL-N-PYRIDIN-4-YLBUTANAMIDEA2CI00.76
K274-carbamoyl-1-(3-{4-[(E)-(hydroxyimino)methyl]pyridinium-
1-yl}propyl)pyridinium
A,B2WHR0.75
5IQISOQUINOLIN-5-AMINEA,B2F2T0.83
26DPYRIDINE-2,6-DIAMINEA2ANZ0.72
11XN-(pyridin-3-ylmethyl)anilineA3EJ00.87
BVF4-METHYLPYRIDIN-2-AMINEA,B3E670.88
BVF4-METHYLPYRIDIN-2-AMINEA2EUT0.88
AT2ETHYL 4-[(4-METHYLPYRIDIN-2-YL)AMINO]PIPERIDINE-
1-CARBOXYLATE
A,B3E7S0.72
AT2ETHYL 4-[(4-METHYLPYRIDIN-2-YL)AMINO]PIPERIDINE-
1-CARBOXYLATE
A,B3E7M0.72
AT2ETHYL 4-[(4-METHYLPYRIDIN-2-YL)AMINO]PIPERIDINE-
1-CARBOXYLATE
A,B,C,D3E7G0.72
2781-(1-methyl-1H-pyrrol-2-yl)methanamineX2RBV0.79
QMSN-(QUINOLIN-8-YL)METHANESULFONAMIDEA2BB70.73
DPT4,7-DIMETHYL-[1,10]PHENANTHROLINEA,B1I530.75
AUP2-(2-PHENYL-3-PYRIDIN-2-YL-4,5,6,7-
TETRAHYDRO-2H-ISOPHOSPHINDOL-1-
YL)PYRIDINE
A2AAQ0.75
11P[(7R)-6,7-dihydro-5H-cyclopenta[c]pyridin-
7-yl(hydroxy)methylene]bis(phosphonic acid)
A2RAH0.72
PYS2-PYRIDINETHIOLA,B1CTE0.79
PYS2-PYRIDINETHIOLA2IPP0.79
IM4(2E)-1-[(6-chloropyridin-3-yl)methyl]-
N-nitroimidazolidin-2-imine
A,C,D,E2ZJU0.73
IM4(2E)-1-[(6-chloropyridin-3-yl)methyl]-
N-nitroimidazolidin-2-imine
A,B,C,D3C790.73
RIS1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-
PHOSPHONIC ACID
A1YV50.77
RIS1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-
PHOSPHONIC ACID
A,B1RQJ0.77
RIS1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-
PHOSPHONIC ACID
A1YQ70.77
RIS1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-
PHOSPHONIC ACID
A1YHL0.77
RIS1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-
PHOSPHONIC ACID
A2QIS0.77
RIS1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-
PHOSPHONIC ACID
A,B2O1O0.77
APY2-AMINOMETHYL-PYRIDINEA,B,I1HIV0.86
APY2-AMINOMETHYL-PYRIDINEI1IVP0.86
0471-CYCLOHEXYL-N-{[1-(4-METHYLPHENYL)-
1H-INDOL-3-YL]METHYL}METHANAMINE
A,B2PJL0.71
TSH2-(1H-INDOL-3-YL)ETHANIMINED,H2AGY0.75
TSH2-(1H-INDOL-3-YL)ETHANIMINED,H2AH00.75
TSH2-(1H-INDOL-3-YL)ETHANIMINED,H2AGX0.75
1PS3-PYRIDINIUM-1-YLPROPANE-1-SULFONATEA,B,C,D2RFQ0.77
1PS3-PYRIDINIUM-1-YLPROPANE-1-SULFONATEA,B,C,D,E,F2GA40.77
1PS3-PYRIDINIUM-1-YLPROPANE-1-SULFONATEA,B,C,D,E,F1R4P0.77
IQUN-(2-AMINOETHYL)ISOQUINOLINE-5-
SULFONAMIDE
A,B,C,D2CKE0.76
M775-(1,4-DIAZEPAN-1-SULFONYL)ISOQUINOLINEA,B2ESM0.73
M775-(1,4-DIAZEPAN-1-SULFONYL)ISOQUINOLINEA,B2F2U0.73
M775-(1,4-DIAZEPAN-1-SULFONYL)ISOQUINOLINEA2GNI0.73
M775-(1,4-DIAZEPAN-1-SULFONYL)ISOQUINOLINEA1Q8W0.73
MYTMETYRAPONEA1PHG0.74
MYTMETYRAPONEA1W0G0.74
2755-amino-1,2-dimethylpyridiniumX2RBW0.81
SPY4-HYDROSULFONYLPYRIDINEA,B1IDB0.78
NTNISONICOTINAMIDINEA7ADH0.91
PY7PYRIDIN-4-YLMETHANOLA2EUR0.79
HBP1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIMEA,B2GYV0.74
HBP1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIMEA,B2JF00.74
PBO1-PYRIDIN-3-YLBUTAN-1-ONEA1PYJ0.77
SCE3-methyl-N-(pyridin-4-ylmethyl)imidazo[1,2-
a]pyrazin-8-amine
A2R3H0.71
1BY[2-(PYRIDIN-2-YLAMINO)ETHANE-1,1-
DIYL]BIS(PHOSPHONIC ACID)
A,B2I190.73
LL13-pyridin-4-yl-1H-indazoleA3DNE0.71
DGBN-[4-(1-BENZOYLPIPERIDIN-4-YL)BUTYL]-
3-PYRIDIN-3-YLPROPANAMIDE
A,B2G970.72
DGBN-[4-(1-BENZOYLPIPERIDIN-4-YL)BUTYL]-
3-PYRIDIN-3-YLPROPANAMIDE
A,B2GVJ0.72
HLO1-[({2,4-BIS[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-
1-YL}METHOXY)METHYL]-4-CARBAMOYLPYRIDINIUM
A,B2JEY0.72
HLO1-[({2,4-BIS[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-
1-YL}METHOXY)METHYL]-4-CARBAMOYLPYRIDINIUM
A,B2JEZ0.72
DA1PYRIDINE-2,5-DIAMINEA2AQD0.76
C4CN-(4-chlorobenzyl)-N',N'-dimethyl-
N-pyridin-2-ylethane-1,2-diamine
A2RA70.72
3643-BIPHENYL-3-YL-1-(2-HYDROXY-2,2-
DIPHOSPHONOETHYL)PYRIDINIUM
A,B2E940.72
Y27(R)-TRANS-4-(1-AMINOETHYL)-N-(4-
PYRIDYL) CYCLOHEXANECARBOXAMIDE
A2GNF0.75
Y27(R)-TRANS-4-(1-AMINOETHYL)-N-(4-
PYRIDYL) CYCLOHEXANECARBOXAMIDE
A2H9V0.75
Y27(R)-TRANS-4-(1-AMINOETHYL)-N-(4-
PYRIDYL) CYCLOHEXANECARBOXAMIDE
A,B2ETR0.75
Y27(R)-TRANS-4-(1-AMINOETHYL)-N-(4-
PYRIDYL) CYCLOHEXANECARBOXAMIDE
A2GNJ0.75
Y27(R)-TRANS-4-(1-AMINOETHYL)-N-(4-
PYRIDYL) CYCLOHEXANECARBOXAMIDE
A1Q8T0.75
8IPN~3~-(3-PYRIDIN-3-YLBENZYL)PYRIDINE-
2,3-DIAMINE
A2OHR0.74
3AP3-AMINOPYRIDINEA1AEF0.81
GG54-[3-(4-FLUOROPHENYL)-1H-PYRAZOL-
4-YL]PYRIDINE
A3HVC0.74
2AP2-AMINOPYRIDINEA1AEO0.79
OBI1,1'-(OXYDIMETHYLENE)BIS(4-FORMYLPYRIDINIUM)DIOXIMEA,B2GYW0.81
LG45-METHYLPYRIDIN-2-AMINEA2EUP0.87
AS34-METHYL-6-PROPYLPYRIDIN-2-AMINEA,B3E6N0.73
HI64-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-
1-YL}METHOXY)METHYL]PYRIDINIUM
A,B2WHQ0.71
HI64-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-
1-YL}METHOXY)METHYL]PYRIDINIUM
A,B2WHP0.71
HI64-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-
1-YL}METHOXY)METHYL]PYRIDINIUM
A,B2GYU0.71
TH4{(2Z)-3-[(6-chloropyridin-3-yl)methyl]-
1,3-thiazolidin-2-ylidene}cyanamide
A,B,C,D,E3C840.72
7609-(3-PHENYLMETHYLAMINO)-1,2,3,4-
TETRAHYDROACRIDINE
A1DX40.7
GVH1H-PYRROLO[2,3-B]PYRIDINEA2UVX0.73
CLQN4-(7-CHLORO-QUINOLIN-4-YL)-N1,N1-
DIETHYL-PENTANE-1,4-DIAMINE
A1CET0.72
4602-[5-(6-METHYLPYRIDIN-2-YL)-2,3-
DIHYDRO-1H-PYRAZOL-4-YL]-1,5-NAPHTHYRIDINE
A1VJY0.7
ESPTHIENO[2,3-B]PYRIDINE-2-CARBOXAMIDINEB1C5Y0.73
ESPTHIENO[2,3-B]PYRIDINE-2-CARBOXAMIDINEA1C5U0.73
ESPTHIENO[2,3-B]PYRIDINE-2-CARBOXAMIDINEA1C5T0.73
ISQISOQUINOLINEA1GDK0.84
ISZ4-(DIAZENYLCARBONYL)PYRIDINEA,B,C,D1W6F0.81
ISZ4-(DIAZENYLCARBONYL)PYRIDINEA2V2E0.81
ISZ4-(DIAZENYLCARBONYL)PYRIDINEX2VCF0.81
ISZ4-(DIAZENYLCARBONYL)PYRIDINEA2VCS0.81
ISZ4-(DIAZENYLCARBONYL)PYRIDINEA2VCN0.81
ISZ4-(DIAZENYLCARBONYL)PYRIDINEA,B1XR30.81
LIG3-PYRIDIN-4-YL-2,4-DIHYDRO-INDENO[1,2-
.C.]PYRAZOLE
P1JVP0.71
PIU1-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}-
2,4,6-TRIMETHYLPYRIDINIUM
A1ZE80.71
MILMILRINONEA,B1TLM0.8
IQSN-[2-(METHYLAMINO)ETHYL]-5-ISOQUINOLINESULFONAMIDEE1YDS0.76
NCANICOTINAMIDEA,B2E5D0.79
NCANICOTINAMIDEA,B,C,D2Z770.79
NCANICOTINAMIDEA,B1DMA0.79
NCANICOTINAMIDEA,B1ISM0.79
NCANICOTINAMIDEA,B1YC50.79
NCANICOTINAMIDEA2ZB70.79
NCANICOTINAMIDEA,B,C,D,E,F,
G,H
1R150.79
NCANICOTINAMIDEA,B2QQG0.79
NCANICOTINAMIDEA2OTV0.79
NCANICOTINAMIDEA2QHF0.79
NCANICOTINAMIDEA,B,C,D2C8A0.79
NCANICOTINAMIDEA,B2HJH0.79
NCANICOTINAMIDEA2A150.79
NCANICOTINAMIDEA2R6V0.79
NCANICOTINAMIDEA,B1ISI0.79
NCANICOTINAMIDEA,D,E2R9J0.79
NCANICOTINAMIDEA2H4J0.79
NCANICOTINAMIDEA,B2OD90.79
NCANICOTINAMIDEA,B,C,D,E1YC20.79
NCANICOTINAMIDEA,B3DZG0.79
NCANICOTINAMIDEA1OJU0.79
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
1UW60.86
NCT(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINEA1P2Y0.86
NCT(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINEA1P7R0.86
EPJEPIBATIDINEA,B,C,D,E2BYQ0.78
PYF3-PYRIDINYLCARBINOLA,B1R160.76
2451-(2-chloropyridin-4-yl)-3-phenylureaA2QKN0.7
BRT5-BROMONICOTINAMIDEA,B1GXZ0.71
D4GA,B,C,D2FDY0.79
NPMN-[(1E)-PYRIDIN-2-YLMETHYLENE]-
N-[4-(4-{[(1E)-PYRIDIN-2-YLMETHYLENE]AMINO}BENZYL)PHENYL]AMINE
A,B2ET00.77
PRR3-(METHYL-PYRIDINIUM)ALANINEH,I,J7KME0.74
CIIN-[(1S)-2-methyl-1-(pyridin-4-ylcarbamoyl)propyl]cyclohexanecarboxamideA2W0A0.73
PAA(N-METHYLPYRIDYL)ACETIC ACIDI1HBT0.75