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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02384502

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
LG45-METHYLPYRIDIN-2-AMINEA2EUP0.73
C532-IMINO-5-(1-PYRIDIN-2-YL-METH-
(E)-YLIDENE)-1,3-THIAZOLIDIN-4-
ONE
A2V0D0.7
NTNISONICOTINAMIDINEA7ADH0.79
SPY4-HYDROSULFONYLPYRIDINEA,B1IDB0.76
OBI1,1'-(OXYDIMETHYLENE)BIS(4-FORMYLPYRIDINIUM)DIOXIMEA,B2GYW0.75
2862-ethenyl-1-methylpyridiniumX2RC20.83
2AP2-AMINOPYRIDINEA1AEO0.74
PY23-(MERCAPTOMETHYLENE)PYRIDINEA,B1IDA0.78
PHN1,10-PHENANTHROLINEA1LIH0.74
PHN1,10-PHENANTHROLINEA2LIG0.74
PHN1,10-PHENANTHROLINEA,B2FU70.74
APY2-AMINOMETHYL-PYRIDINEA,B,I1HIV0.85
APY2-AMINOMETHYL-PYRIDINEI1IVP0.85
PY7PYRIDIN-4-YLMETHANOLA2EUR0.7
4AP4-AMINOPYRIDINEA1AEG0.81
1PS3-PYRIDINIUM-1-YLPROPANE-1-SULFONATEA,B,C,D2RFQ0.76
1PS3-PYRIDINIUM-1-YLPROPANE-1-SULFONATEA,B,C,D,E,F2GA40.76
1PS3-PYRIDINIUM-1-YLPROPANE-1-SULFONATEA,B,C,D,E,F1R4P0.76
8IPN~3~-(3-PYRIDIN-3-YLBENZYL)PYRIDINE-
2,3-DIAMINE
A2OHR0.71
ISZ4-(DIAZENYLCARBONYL)PYRIDINEA,B,C,D1W6F0.72
ISZ4-(DIAZENYLCARBONYL)PYRIDINEA2V2E0.72
ISZ4-(DIAZENYLCARBONYL)PYRIDINEX2VCF0.72
ISZ4-(DIAZENYLCARBONYL)PYRIDINEA2VCS0.72
ISZ4-(DIAZENYLCARBONYL)PYRIDINEA2VCN0.72
ISZ4-(DIAZENYLCARBONYL)PYRIDINEA,B1XR30.72
8APN~3~-BENZYLPYRIDINE-2,3-DIAMINEA2OHM0.75
MILMILRINONEA,B1TLM0.74
2755-amino-1,2-dimethylpyridiniumX2RBW0.85
D4GA,B,C,D2FDY0.78
11XN-(pyridin-3-ylmethyl)anilineA3EJ00.79
DPT4,7-DIMETHYL-[1,10]PHENANTHROLINEA,B1I530.73
SB9HYDROXY[3-(6-METHYLPYRIDIN-2-YL)PROPYL]FORMAMIDEP2AIE0.71
PYS2-PYRIDINETHIOLA,B1CTE0.79
PYS2-PYRIDINETHIOLA2IPP0.79
AUP2-(2-PHENYL-3-PYRIDIN-2-YL-4,5,6,7-
TETRAHYDRO-2H-ISOPHOSPHINDOL-1-
YL)PYRIDINE
A2AAQ0.71
NPMN-[(1E)-PYRIDIN-2-YLMETHYLENE]-
N-[4-(4-{[(1E)-PYRIDIN-2-YLMETHYLENE]AMINO}BENZYL)PHENYL]AMINE
A,B2ET00.74
QMSN-(QUINOLIN-8-YL)METHANESULFONAMIDEA2BB70.71
3AP3-AMINOPYRIDINEA1AEF0.87
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
DA1PYRIDINE-2,5-DIAMINEA2AQD0.83
3MP3-METHYLPYRIDINEA1EUB0.81
3MP3-METHYLPYRIDINEA1BM60.81
5IQISOQUINOLIN-5-AMINEA,B2F2T0.74
ISQISOQUINOLINEA1GDK0.74
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
1UW60.78
NCT(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINEA1P2Y0.78
NCT(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINEA1P7R0.78
HBP1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIMEA,B2GYV0.78
HBP1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIMEA,B2JF00.78
4602-[5-(6-METHYLPYRIDIN-2-YL)-2,3-
DIHYDRO-1H-PYRAZOL-4-YL]-1,5-NAPHTHYRIDINE
A1VJY0.72
2451-(2-chloropyridin-4-yl)-3-phenylureaA2QKN0.7
BVF4-METHYLPYRIDIN-2-AMINEA,B3E670.72
BVF4-METHYLPYRIDIN-2-AMINEA2EUT0.72
2781-(1-methyl-1H-pyrrol-2-yl)methanamineX2RBV0.77