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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02243455

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
NI93-FLUORO-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUMA2OPM0.75
NI93-FLUORO-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUMA,B3DYF0.75
NI93-FLUORO-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUMA,B3DYG0.75
11P[(7R)-6,7-dihydro-5H-cyclopenta[c]pyridin-
7-yl(hydroxy)methylene]bis(phosphonic acid)
A2RAH0.75
DGBN-[4-(1-BENZOYLPIPERIDIN-4-YL)BUTYL]-
3-PYRIDIN-3-YLPROPANAMIDE
A,B2G970.71
DGBN-[4-(1-BENZOYLPIPERIDIN-4-YL)BUTYL]-
3-PYRIDIN-3-YLPROPANAMIDE
A,B2GVJ0.71
PAA(N-METHYLPYRIDYL)ACETIC ACIDI1HBT0.79
IQSN-[2-(METHYLAMINO)ETHYL]-5-ISOQUINOLINESULFONAMIDEE1YDS0.74
THATACRINEA,B2AOW0.71
THATACRINEA,B,C,D,E,F1MX10.71
THATACRINEA,B2AOX0.71
THATACRINEA1ACJ0.71
DPT4,7-DIMETHYL-[1,10]PHENANTHROLINEA,B1I530.77
3AP3-AMINOPYRIDINEA1AEF0.77
GVH1H-PYRROLO[2,3-B]PYRIDINEA2UVX0.71
AUP2-(2-PHENYL-3-PYRIDIN-2-YL-4,5,6,7-
TETRAHYDRO-2H-ISOPHOSPHINDOL-1-
YL)PYRIDINE
A2AAQ0.77
2AP2-AMINOPYRIDINEA1AEO0.75
LG45-METHYLPYRIDIN-2-AMINEA2EUP0.84
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
ISQISOQUINOLINEA1GDK0.88
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
1UW60.9
NCT(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINEA1P2Y0.9
NCT(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINEA1P7R0.9
PIU1-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}-
2,4,6-TRIMETHYLPYRIDINIUM
A1ZE80.73
2461-benzyl-3-(2-chloropyridin-4-yl)ureaA2QPM0.74
NTNISONICOTINAMIDINEA7ADH0.88
7933-{[(1R)-1-phenylethyl]amino}-4-
(pyridin-4-ylamino)cyclobut-3-ene-
1,2-dione
A3FPM0.74
TSS2-(1H-INDOL-3-YL)ETHANAMINEA,B,D,H2IUQ0.73
TSS2-(1H-INDOL-3-YL)ETHANAMINEA,B2FPB0.73
TSS2-(1H-INDOL-3-YL)ETHANAMINED,H2AGW0.73
TSS2-(1H-INDOL-3-YL)ETHANAMINEA2PQL0.73
PYS2-PYRIDINETHIOLA,B1CTE0.81
PYS2-PYRIDINETHIOLA2IPP0.81
3MP3-METHYLPYRIDINEA1EUB0.95
3MP3-METHYLPYRIDINEA1BM60.95
QMSN-(QUINOLIN-8-YL)METHANESULFONAMIDEA2BB70.74
NPMN-[(1E)-PYRIDIN-2-YLMETHYLENE]-
N-[4-(4-{[(1E)-PYRIDIN-2-YLMETHYLENE]AMINO}BENZYL)PHENYL]AMINE
A,B2ET00.81
DA1PYRIDINE-2,5-DIAMINEA2AQD0.74
5IQISOQUINOLIN-5-AMINEA,B2F2T0.82
PBO1-PYRIDIN-3-YLBUTAN-1-ONEA1PYJ0.82
1SQISOQUINOLIN-1-AMINEA2OHK0.79
SPY4-HYDROSULFONYLPYRIDINEA,B1IDB0.8
2862-ethenyl-1-methylpyridiniumX2RC20.88
LIG3-PYRIDIN-4-YL-2,4-DIHYDRO-INDENO[1,2-
.C.]PYRAZOLE
P1JVP0.7
CLQN4-(7-CHLORO-QUINOLIN-4-YL)-N1,N1-
DIETHYL-PENTANE-1,4-DIAMINE
A1CET0.71
EPJEPIBATIDINEA,B,C,D,E2BYQ0.76
PYF3-PYRIDINYLCARBINOLA,B1R160.78
1PS3-PYRIDINIUM-1-YLPROPANE-1-SULFONATEA,B,C,D2RFQ0.8
1PS3-PYRIDINIUM-1-YLPROPANE-1-SULFONATEA,B,C,D,E,F2GA40.8
1PS3-PYRIDINIUM-1-YLPROPANE-1-SULFONATEA,B,C,D,E,F1R4P0.8
2451-(2-chloropyridin-4-yl)-3-phenylureaA2QKN0.71
HI64-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-
1-YL}METHOXY)METHYL]PYRIDINIUM
A,B2WHQ0.72
HI64-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-
1-YL}METHOXY)METHYL]PYRIDINIUM
A,B2WHP0.72
HI64-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-
1-YL}METHOXY)METHYL]PYRIDINIUM
A,B2GYU0.72
NCANICOTINAMIDEA,B2E5D0.77
NCANICOTINAMIDEA,B,C,D2Z770.77
NCANICOTINAMIDEA,B1DMA0.77
NCANICOTINAMIDEA,B1ISM0.77
NCANICOTINAMIDEA,B1YC50.77
NCANICOTINAMIDEA2ZB70.77
NCANICOTINAMIDEA,B,C,D,E,F,
G,H
1R150.77
NCANICOTINAMIDEA,B2QQG0.77
NCANICOTINAMIDEA2OTV0.77
NCANICOTINAMIDEA2QHF0.77
NCANICOTINAMIDEA,B,C,D2C8A0.77
NCANICOTINAMIDEA,B2HJH0.77
NCANICOTINAMIDEA2A150.77
NCANICOTINAMIDEA2R6V0.77
NCANICOTINAMIDEA,B1ISI0.77
NCANICOTINAMIDEA,D,E2R9J0.77
NCANICOTINAMIDEA2H4J0.77
NCANICOTINAMIDEA,B2OD90.77
NCANICOTINAMIDEA,B,C,D,E1YC20.77
NCANICOTINAMIDEA,B3DZG0.77
NCANICOTINAMIDEA1OJU0.77
PY23-(MERCAPTOMETHYLENE)PYRIDINEA,B1IDA0.89
K274-carbamoyl-1-(3-{4-[(E)-(hydroxyimino)methyl]pyridinium-
1-yl}propyl)pyridinium
A,B2WHR0.74
IQUN-(2-AMINOETHYL)ISOQUINOLINE-5-
SULFONAMIDE
A,B,C,D2CKE0.74
MYTMETYRAPONEA1PHG0.76
MYTMETYRAPONEA1W0G0.76
Y27(R)-TRANS-4-(1-AMINOETHYL)-N-(4-
PYRIDYL) CYCLOHEXANECARBOXAMIDE
A2GNF0.74
Y27(R)-TRANS-4-(1-AMINOETHYL)-N-(4-
PYRIDYL) CYCLOHEXANECARBOXAMIDE
A2H9V0.74
Y27(R)-TRANS-4-(1-AMINOETHYL)-N-(4-
PYRIDYL) CYCLOHEXANECARBOXAMIDE
A,B2ETR0.74
Y27(R)-TRANS-4-(1-AMINOETHYL)-N-(4-
PYRIDYL) CYCLOHEXANECARBOXAMIDE
A2GNJ0.74
Y27(R)-TRANS-4-(1-AMINOETHYL)-N-(4-
PYRIDYL) CYCLOHEXANECARBOXAMIDE
A1Q8T0.74
GG54-[3-(4-FLUOROPHENYL)-1H-PYRAZOL-
4-YL]PYRIDINE
A3HVC0.72
1CM(2R)-2-PHENYL-N-PYRIDIN-4-YLBUTANAMIDEA2CI00.75
TH4{(2Z)-3-[(6-chloropyridin-3-yl)methyl]-
1,3-thiazolidin-2-ylidene}cyanamide
A,B,C,D,E3C840.74
2781-(1-methyl-1H-pyrrol-2-yl)methanamineX2RBV0.75
MILMILRINONEA,B1TLM0.79
APY2-AMINOMETHYL-PYRIDINEA,B,I1HIV0.83
APY2-AMINOMETHYL-PYRIDINEI1IVP0.83
BVF4-METHYLPYRIDIN-2-AMINEA,B3E670.85
BVF4-METHYLPYRIDIN-2-AMINEA2EUT0.85
CIIN-[(1S)-2-methyl-1-(pyridin-4-ylcarbamoyl)propyl]cyclohexanecarboxamideA2W0A0.72
RIS1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-
PHOSPHONIC ACID
A1YV50.8
RIS1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-
PHOSPHONIC ACID
A,B1RQJ0.8
RIS1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-
PHOSPHONIC ACID
A1YQ70.8
RIS1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-
PHOSPHONIC ACID
A1YHL0.8
RIS1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-
PHOSPHONIC ACID
A2QIS0.8
RIS1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-
PHOSPHONIC ACID
A,B2O1O0.8
TSH2-(1H-INDOL-3-YL)ETHANIMINED,H2AGY0.73
TSH2-(1H-INDOL-3-YL)ETHANIMINED,H2AH00.73
TSH2-(1H-INDOL-3-YL)ETHANIMINED,H2AGX0.73
LL13-pyridin-4-yl-1H-indazoleA3DNE0.71
MIB(3E)-4-(1-METHYL-1H-INDOL-3-YL)BUT-
3-EN-2-ONE
A1ZS50.72
SB9HYDROXY[3-(6-METHYLPYRIDIN-2-YL)PROPYL]FORMAMIDEP2AIE0.73
4AP4-AMINOPYRIDINEA1AEG0.78
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
D4GA,B,C,D2FDY0.82
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
PY7PYRIDIN-4-YLMETHANOLA2EUR0.81
ISZ4-(DIAZENYLCARBONYL)PYRIDINEA,B,C,D1W6F0.8
ISZ4-(DIAZENYLCARBONYL)PYRIDINEA2V2E0.8
ISZ4-(DIAZENYLCARBONYL)PYRIDINEX2VCF0.8
ISZ4-(DIAZENYLCARBONYL)PYRIDINEA2VCS0.8
ISZ4-(DIAZENYLCARBONYL)PYRIDINEA2VCN0.8
ISZ4-(DIAZENYLCARBONYL)PYRIDINEA,B1XR30.8
OBI1,1'-(OXYDIMETHYLENE)BIS(4-FORMYLPYRIDINIUM)DIOXIMEA,B2GYW0.83
3643-BIPHENYL-3-YL-1-(2-HYDROXY-2,2-
DIPHOSPHONOETHYL)PYRIDINIUM
A,B2E940.75
11XN-(pyridin-3-ylmethyl)anilineA3EJ00.86
2755-amino-1,2-dimethylpyridiniumX2RBW0.8
PRR3-(METHYL-PYRIDINIUM)ALANINEH,I,J7KME0.73
U73N-(5-ISOPROPYL-THIAZOL-2-YL)-2-
PYRIDIN-3-YL-ACETAMIDE
A2BTR0.75
M775-(1,4-DIAZEPAN-1-SULFONYL)ISOQUINOLINEA,B2ESM0.7
M775-(1,4-DIAZEPAN-1-SULFONYL)ISOQUINOLINEA,B2F2U0.7
M775-(1,4-DIAZEPAN-1-SULFONYL)ISOQUINOLINEA2GNI0.7
M775-(1,4-DIAZEPAN-1-SULFONYL)ISOQUINOLINEA1Q8W0.7
PF74-(quinolin-3-ylmethyl)piperidine-
1-carboxylic acid
A,B2VYA0.72
PHN1,10-PHENANTHROLINEA1LIH0.76
PHN1,10-PHENANTHROLINEA2LIG0.76
PHN1,10-PHENANTHROLINEA,B2FU70.76
ESPTHIENO[2,3-B]PYRIDINE-2-CARBOXAMIDINEB1C5Y0.73
ESPTHIENO[2,3-B]PYRIDINE-2-CARBOXAMIDINEA1C5U0.73
ESPTHIENO[2,3-B]PYRIDINE-2-CARBOXAMIDINEA1C5T0.73
C4CN-(4-chlorobenzyl)-N',N'-dimethyl-
N-pyridin-2-ylethane-1,2-diamine
A2RA70.75
AS34-METHYL-6-PROPYLPYRIDIN-2-AMINEA,B3E6N0.74
RW14-phenylpyrimidineA,B,C3B9S0.76
HBP1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIMEA,B2GYV0.78
HBP1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIMEA,B2JF00.78
IQP1-(5-ISOQUINOLINESULFONYL)-2-METHYLPIPERAZINEE1YDR0.71
L123-(2-PYRIDIN-4-YLETHYL)-1H-INDOLEA1W840.74
8IPN~3~-(3-PYRIDIN-3-YLBENZYL)PYRIDINE-
2,3-DIAMINE
A2OHR0.72
IMB[(ISOQUINOLIN-1-YLAMINO)-PHOSPHONO-
METHYL]-PHOSPHONIC ACID
A,B1T1R0.71