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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02389068

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
4AP4-AMINOPYRIDINEA1AEG0.79
HBP1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIMEA,B2GYV0.83
HBP1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIMEA,B2JF00.83
OBI1,1'-(OXYDIMETHYLENE)BIS(4-FORMYLPYRIDINIUM)DIOXIMEA,B2GYW0.73
NTNISONICOTINAMIDINEA7ADH0.79
PHN1,10-PHENANTHROLINEA1LIH0.73
PHN1,10-PHENANTHROLINEA2LIG0.73
PHN1,10-PHENANTHROLINEA,B2FU70.73
2AP2-AMINOPYRIDINEA1AEO0.74
DPT4,7-DIMETHYL-[1,10]PHENANTHROLINEA,B1I530.72
PBO1-PYRIDIN-3-YLBUTAN-1-ONEA1PYJ0.71
2862-ethenyl-1-methylpyridiniumX2RC20.9
LG45-METHYLPYRIDIN-2-AMINEA2EUP0.74
NI93-FLUORO-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUMA2OPM0.74
NI93-FLUORO-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUMA,B3DYF0.74
NI93-FLUORO-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUMA,B3DYG0.74
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
1UW60.79
NCT(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINEA1P2Y0.79
NCT(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINEA1P7R0.79
RW14-phenylpyrimidineA,B,C3B9S0.72
PIU1-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}-
2,4,6-TRIMETHYLPYRIDINIUM
A1ZE80.7
QMSN-(QUINOLIN-8-YL)METHANESULFONAMIDEA2BB70.73
2755-amino-1,2-dimethylpyridiniumX2RBW0.84
11XN-(pyridin-3-ylmethyl)anilineA3EJ00.79
PYF3-PYRIDINYLCARBINOLA,B1R160.7
SPY4-HYDROSULFONYLPYRIDINEA,B1IDB0.82
SB9HYDROXY[3-(6-METHYLPYRIDIN-2-YL)PROPYL]FORMAMIDEP2AIE0.76
PY23-(MERCAPTOMETHYLENE)PYRIDINEA,B1IDA0.89
INDINDOLEA1L4H0.7
INDINDOLEA,B,G1O7N0.7
INDINDOLEA185L0.7
INDINDOLEA,B1EG90.7
INDINDOLEA,B1UUV0.7
INDINDOLEA,C,E2B240.7
INDINDOLEA,B,C,D,E,F2P850.7
C532-IMINO-5-(1-PYRIDIN-2-YL-METH-
(E)-YLIDENE)-1,3-THIAZOLIDIN-4-
ONE
A2V0D0.76
8APN~3~-BENZYLPYRIDINE-2,3-DIAMINEA2OHM0.71
3AP3-AMINOPYRIDINEA1AEF0.79
L123-(2-PYRIDIN-4-YLETHYL)-1H-INDOLEA1W840.7
ISQISOQUINOLINEA1GDK0.77
M2C(2S)-2-AMINO-4-(METHYLSULFANYL)-
1-PYRIDIN-2-YLBUTANE-1,1-DIOL
A1QXY0.74
AUP2-(2-PHENYL-3-PYRIDIN-2-YL-4,5,6,7-
TETRAHYDRO-2H-ISOPHOSPHINDOL-1-
YL)PYRIDINE
A2AAQ0.76
D4GA,B,C,D2FDY0.82
DA1PYRIDINE-2,5-DIAMINEA2AQD0.76
PY7PYRIDIN-4-YLMETHANOLA2EUR0.71
BVF4-METHYLPYRIDIN-2-AMINEA,B3E670.74
BVF4-METHYLPYRIDIN-2-AMINEA2EUT0.74
3MP3-METHYLPYRIDINEA1EUB0.83
3MP3-METHYLPYRIDINEA1BM60.83
2781-(1-methyl-1H-pyrrol-2-yl)methanamineX2RBV0.78
RIS1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-
PHOSPHONIC ACID
A1YV50.71
RIS1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-
PHOSPHONIC ACID
A,B1RQJ0.71
RIS1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-
PHOSPHONIC ACID
A1YQ70.71
RIS1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-
PHOSPHONIC ACID
A1YHL0.71
RIS1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-
PHOSPHONIC ACID
A2QIS0.71
RIS1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-
PHOSPHONIC ACID
A,B2O1O0.71
TH4{(2Z)-3-[(6-chloropyridin-3-yl)methyl]-
1,3-thiazolidin-2-ylidene}cyanamide
A,B,C,D,E3C840.72
PYS2-PYRIDINETHIOLA,B1CTE0.86
PYS2-PYRIDINETHIOLA2IPP0.86
1PS3-PYRIDINIUM-1-YLPROPANE-1-SULFONATEA,B,C,D2RFQ0.85
1PS3-PYRIDINIUM-1-YLPROPANE-1-SULFONATEA,B,C,D,E,F2GA40.85
1PS3-PYRIDINIUM-1-YLPROPANE-1-SULFONATEA,B,C,D,E,F1R4P0.85
APY2-AMINOMETHYL-PYRIDINEA,B,I1HIV0.88
APY2-AMINOMETHYL-PYRIDINEI1IVP0.88
5IQISOQUINOLIN-5-AMINEA,B2F2T0.75
NPMN-[(1E)-PYRIDIN-2-YLMETHYLENE]-
N-[4-(4-{[(1E)-PYRIDIN-2-YLMETHYLENE]AMINO}BENZYL)PHENYL]AMINE
A,B2ET00.77
1SQISOQUINOLIN-1-AMINEA2OHK0.7
ISZ4-(DIAZENYLCARBONYL)PYRIDINEA,B,C,D1W6F0.71
ISZ4-(DIAZENYLCARBONYL)PYRIDINEA2V2E0.71
ISZ4-(DIAZENYLCARBONYL)PYRIDINEX2VCF0.71
ISZ4-(DIAZENYLCARBONYL)PYRIDINEA2VCS0.71
ISZ4-(DIAZENYLCARBONYL)PYRIDINEA2VCN0.71
ISZ4-(DIAZENYLCARBONYL)PYRIDINEA,B1XR30.71